diff --git a/s1012307_cmpx.pdb b/s1012307_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..1060feb47f47941c2a6d34d79658ca255a4e8c96 --- /dev/null +++ b/s1012307_cmpx.pdb @@ -0,0 +1,1614 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.5 0.000 0.000 +REMARK CORE N12CCNCC1=CC=N2 +REMARK SMILES O=c1ccc(-c2ccc(-c3cnn4c3CNCC4)nn2)c[nH]1 +REMARK SMILES IDX 6 1 7 2 8 3 9 4 19 5 20 6 5 7 2 8 3 9 22 10 4 11 21 12 1 13 +REMARK SMILES IDX 10 15 11 16 14 17 12 18 13 19 15 20 18 21 16 22 17 23 +REMARK H PARENT 22 14 16 24 +COMPND /tmp/tmpl4bblmho/57783689_s1012307_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 C UNL A 1 26.281 19.041 -8.099 1.00 0.00 C +ATOM 2 C UNL A 1 26.682 19.515 -9.342 1.00 0.00 C +ATOM 3 C UNL A 1 27.886 20.203 -9.456 1.00 0.00 C +ATOM 4 C UNL A 1 28.646 20.397 -8.318 1.00 0.00 C +ATOM 5 N UNL A 1 28.230 19.946 -7.114 1.00 0.00 N +ATOM 6 N UNL A 1 27.039 19.266 -7.004 1.00 0.00 N +ATOM 7 C UNL A 1 25.023 18.277 -7.933 1.00 0.00 C +ATOM 8 C UNL A 1 22.664 16.712 -7.631 1.00 0.00 C +ATOM 9 C UNL A 1 22.773 18.043 -6.988 1.00 0.00 C +ATOM 10 N UNL A 1 23.748 16.327 -8.382 1.00 0.00 N +ATOM 11 C UNL A 1 23.890 18.768 -7.150 1.00 0.00 C +ATOM 12 C UNL A 1 24.890 17.079 -8.533 1.00 0.00 C +ATOM 13 O UNL A 1 21.664 16.021 -7.492 1.00 0.00 O +ATOM 14 H UNL A 1 23.672 15.423 -8.831 1.00 0.00 H +ATOM 15 C UNL A 1 29.919 21.080 -8.372 1.00 0.00 C +ATOM 16 C UNL A 1 30.453 22.091 -7.536 1.00 0.00 C +ATOM 17 C UNL A 1 30.900 20.872 -9.324 1.00 0.00 C +ATOM 18 N UNL A 1 31.672 22.485 -7.915 1.00 0.00 N +ATOM 19 N UNL A 1 31.926 21.708 -8.980 1.00 0.00 N +ATOM 20 C UNL A 1 31.007 19.960 -10.496 1.00 0.00 C +ATOM 21 C UNL A 1 33.164 21.832 -9.722 1.00 0.00 C +ATOM 22 N UNL A 1 32.077 20.372 -11.416 1.00 0.00 N +ATOM 23 C UNL A 1 33.317 20.645 -10.672 1.00 0.00 C +ATOM 24 H UNL A 1 31.773 21.217 -11.900 1.00 0.00 H +CONECT 1 2 2 7 6 +CONECT 2 3 1 1 +CONECT 3 2 4 4 +CONECT 4 3 3 15 5 +CONECT 5 4 6 6 +CONECT 6 1 5 5 +CONECT 7 12 12 1 11 +CONECT 8 10 13 13 9 +CONECT 9 8 11 11 +CONECT 10 14 12 8 +CONECT 11 7 9 9 +CONECT 12 10 7 7 +CONECT 13 8 8 +CONECT 14 10 +CONECT 15 17 17 4 16 +CONECT 16 15 18 18 +CONECT 17 20 19 15 15 +CONECT 18 19 16 16 +CONECT 19 21 17 18 +CONECT 20 22 17 +CONECT 21 23 19 +CONECT 22 24 23 20 +CONECT 23 22 21 +CONECT 24 22 +MASTER 0 0 0 0 0 0 0 0 24 0 24 0 +END diff --git a/s1017764_cmpx.pdb b/s1017764_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..6041ba5949086a4504a144df6916c99c58deb0a8 --- /dev/null +++ b/s1017764_cmpx.pdb @@ -0,0 +1,1614 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -9.4 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(-c3ccc4c(c3)CNCC4)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 19 9 20 10 21 11 22 12 9 14 +REMARK SMILES IDX 10 15 14 16 11 17 13 18 12 19 15 20 18 21 16 22 17 23 +REMARK H PARENT 22 13 16 24 +COMPND /tmp/tmp1o1zginw/64232123_s1017764_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.696 16.111 -7.715 1.00 0.00 O +ATOM 2 C UNL A 1 22.762 16.729 -7.707 1.00 0.00 C +ATOM 3 C UNL A 1 22.969 17.963 -6.805 1.00 0.00 C +ATOM 4 O UNL A 1 24.259 18.381 -6.376 1.00 0.00 O +ATOM 5 C UNL A 1 24.951 18.948 -7.411 1.00 0.00 C +ATOM 6 C UNL A 1 25.258 20.305 -7.362 1.00 0.00 C +ATOM 7 C UNL A 1 25.945 20.904 -8.429 1.00 0.00 C +ATOM 8 C UNL A 1 26.335 20.147 -9.544 1.00 0.00 C +ATOM 9 C UNL A 1 26.035 18.769 -9.540 1.00 0.00 C +ATOM 10 C UNL A 1 25.373 18.157 -8.472 1.00 0.00 C +ATOM 11 C UNL A 1 25.128 16.682 -8.463 1.00 0.00 C +ATOM 12 N UNL A 1 23.733 16.356 -8.590 1.00 0.00 N +ATOM 13 H UNL A 1 23.491 15.518 -9.104 1.00 0.00 H +ATOM 14 C UNL A 1 26.975 20.728 -10.741 1.00 0.00 C +ATOM 15 C UNL A 1 26.241 21.430 -11.707 1.00 0.00 C +ATOM 16 C UNL A 1 28.329 20.456 -11.016 1.00 0.00 C +ATOM 17 C UNL A 1 26.806 21.748 -12.947 1.00 0.00 C +ATOM 18 C UNL A 1 28.890 20.729 -12.268 1.00 0.00 C +ATOM 19 C UNL A 1 28.113 21.352 -13.250 1.00 0.00 C +ATOM 20 C UNL A 1 30.304 20.321 -12.589 1.00 0.00 C +ATOM 21 C UNL A 1 28.680 21.552 -14.634 1.00 0.00 C +ATOM 22 N UNL A 1 30.386 19.758 -13.937 1.00 0.00 N +ATOM 23 C UNL A 1 29.968 20.751 -14.933 1.00 0.00 C +ATOM 24 H UNL A 1 29.748 18.962 -13.979 1.00 0.00 H +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 15 15 16 8 +CONECT 15 17 14 14 +CONECT 16 18 18 14 +CONECT 17 19 19 15 +CONECT 18 19 20 16 16 +CONECT 19 21 17 17 18 +CONECT 20 22 18 +CONECT 21 23 19 +CONECT 22 23 24 20 +CONECT 23 21 22 +CONECT 24 22 +MASTER 0 0 0 0 0 0 0 0 24 0 24 0 +END diff --git a/s10212_cmpx.pdb b/s10212_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..9ae1c694c43a07eeace7873ce8fc9ec8cb2defea --- /dev/null +++ b/s10212_cmpx.pdb @@ -0,0 +1,1606 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.5 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(Cc3ccncc3)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 16 9 17 10 18 11 19 12 9 14 +REMARK SMILES IDX 10 15 11 16 15 17 12 18 14 19 13 20 +REMARK H PARENT 19 13 +COMPND /tmp/tmpqtf2w8qg/65115798_s10212_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.611 16.054 -7.603 1.00 0.00 O +ATOM 2 C UNL A 1 22.653 16.710 -7.641 1.00 0.00 C +ATOM 3 C UNL A 1 22.841 17.971 -6.776 1.00 0.00 C +ATOM 4 O UNL A 1 24.130 18.394 -6.360 1.00 0.00 O +ATOM 5 C UNL A 1 24.824 18.945 -7.402 1.00 0.00 C +ATOM 6 C UNL A 1 25.115 20.303 -7.365 1.00 0.00 C +ATOM 7 C UNL A 1 25.858 20.880 -8.398 1.00 0.00 C +ATOM 8 C UNL A 1 26.325 20.090 -9.461 1.00 0.00 C +ATOM 9 C UNL A 1 26.039 18.716 -9.467 1.00 0.00 C +ATOM 10 C UNL A 1 25.290 18.133 -8.436 1.00 0.00 C +ATOM 11 C UNL A 1 25.015 16.662 -8.408 1.00 0.00 C +ATOM 12 N UNL A 1 23.611 16.360 -8.550 1.00 0.00 N +ATOM 13 H UNL A 1 23.370 15.511 -9.045 1.00 0.00 H +ATOM 14 C UNL A 1 27.172 20.695 -10.558 1.00 0.00 C +ATOM 15 C UNL A 1 28.638 20.359 -10.422 1.00 0.00 C +ATOM 16 C UNL A 1 29.178 19.984 -9.188 1.00 0.00 C +ATOM 17 C UNL A 1 29.499 20.459 -11.519 1.00 0.00 C +ATOM 18 C UNL A 1 30.540 19.732 -9.105 1.00 0.00 C +ATOM 19 C UNL A 1 30.846 20.184 -11.334 1.00 0.00 C +ATOM 20 N UNL A 1 31.386 19.820 -10.152 1.00 0.00 N +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 15 8 +CONECT 15 17 17 14 16 +CONECT 16 15 18 18 +CONECT 17 19 15 15 +CONECT 18 20 16 16 +CONECT 19 17 20 20 +CONECT 20 19 19 18 +MASTER 0 0 0 0 0 0 0 0 20 0 20 0 +END diff --git a/s1027407_cmpx.pdb b/s1027407_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..a62f8a3519f22075aa70c92a5a3bca04ebab3bb6 --- /dev/null +++ b/s1027407_cmpx.pdb @@ -0,0 +1,1608 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.6 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(C(=O)C3=CCCCC3)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 17 9 18 10 19 11 20 12 9 14 +REMARK SMILES IDX 10 15 11 16 12 17 16 18 13 19 15 20 14 21 +REMARK H PARENT 20 13 +COMPND /tmp/tmp9hckhhw4/57791534_s1027407_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.596 16.048 -7.564 1.00 0.00 O +ATOM 2 C UNL A 1 22.621 16.729 -7.638 1.00 0.00 C +ATOM 3 C UNL A 1 22.790 18.022 -6.824 1.00 0.00 C +ATOM 4 O UNL A 1 24.072 18.436 -6.373 1.00 0.00 O +ATOM 5 C UNL A 1 24.807 18.967 -7.397 1.00 0.00 C +ATOM 6 C UNL A 1 25.173 20.307 -7.323 1.00 0.00 C +ATOM 7 C UNL A 1 25.963 20.866 -8.331 1.00 0.00 C +ATOM 8 C UNL A 1 26.350 20.093 -9.429 1.00 0.00 C +ATOM 9 C UNL A 1 26.023 18.727 -9.462 1.00 0.00 C +ATOM 10 C UNL A 1 25.260 18.152 -8.438 1.00 0.00 C +ATOM 11 C UNL A 1 24.975 16.682 -8.409 1.00 0.00 C +ATOM 12 N UNL A 1 23.574 16.379 -8.555 1.00 0.00 N +ATOM 13 H UNL A 1 23.344 15.507 -9.016 1.00 0.00 H +ATOM 14 C UNL A 1 27.170 20.632 -10.548 1.00 0.00 C +ATOM 15 O UNL A 1 26.600 21.276 -11.426 1.00 0.00 O +ATOM 16 C UNL A 1 28.660 20.434 -10.563 1.00 0.00 C +ATOM 17 C UNL A 1 29.273 20.555 -11.758 1.00 0.00 C +ATOM 18 C UNL A 1 29.443 20.238 -9.291 1.00 0.00 C +ATOM 19 C UNL A 1 30.758 20.438 -11.949 1.00 0.00 C +ATOM 20 C UNL A 1 30.941 20.517 -9.446 1.00 0.00 C +ATOM 21 C UNL A 1 31.476 19.878 -10.723 1.00 0.00 C +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 15 15 16 8 +CONECT 15 14 14 +CONECT 16 17 17 14 18 +CONECT 17 19 16 16 +CONECT 18 16 20 +CONECT 19 17 21 +CONECT 20 21 18 +CONECT 21 19 20 +MASTER 0 0 0 0 0 0 0 0 21 0 21 0 +END diff --git a/s10490_cmpx.pdb b/s10490_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..b7c895faea6eb90e8279eb75814a4e6eefd91871 --- /dev/null +++ b/s10490_cmpx.pdb @@ -0,0 +1,1612 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -9.0 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(-c3cccc([C@@H]4CCO4)c3)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 19 9 20 10 21 11 22 12 9 14 +REMARK SMILES IDX 10 15 18 16 11 17 13 18 12 19 14 20 15 21 17 22 16 23 +REMARK H PARENT 22 13 +COMPND /tmp/tmpjh_6u__v/57803242_s10490_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.429 16.051 -7.581 1.00 0.00 O +ATOM 2 C UNL A 1 22.496 16.668 -7.619 1.00 0.00 C +ATOM 3 C UNL A 1 22.724 17.936 -6.776 1.00 0.00 C +ATOM 4 O UNL A 1 24.023 18.310 -6.337 1.00 0.00 O +ATOM 5 C UNL A 1 24.759 18.818 -7.370 1.00 0.00 C +ATOM 6 C UNL A 1 25.136 20.155 -7.334 1.00 0.00 C +ATOM 7 C UNL A 1 25.901 20.689 -8.378 1.00 0.00 C +ATOM 8 C UNL A 1 26.299 19.900 -9.475 1.00 0.00 C +ATOM 9 C UNL A 1 25.919 18.543 -9.458 1.00 0.00 C +ATOM 10 C UNL A 1 25.175 17.988 -8.407 1.00 0.00 C +ATOM 11 C UNL A 1 24.856 16.528 -8.370 1.00 0.00 C +ATOM 12 N UNL A 1 23.448 16.264 -8.513 1.00 0.00 N +ATOM 13 H UNL A 1 23.184 15.411 -8.993 1.00 0.00 H +ATOM 14 C UNL A 1 27.066 20.462 -10.616 1.00 0.00 C +ATOM 15 C UNL A 1 26.433 21.126 -11.675 1.00 0.00 C +ATOM 16 C UNL A 1 28.466 20.300 -10.711 1.00 0.00 C +ATOM 17 C UNL A 1 27.158 21.598 -12.770 1.00 0.00 C +ATOM 18 C UNL A 1 29.230 20.711 -11.824 1.00 0.00 C +ATOM 19 C UNL A 1 28.533 21.384 -12.842 1.00 0.00 C +ATOM 20 C UNL A 1 30.778 20.409 -11.949 1.00 0.00 C +ATOM 21 C UNL A 1 31.538 20.053 -10.655 1.00 0.00 C +ATOM 22 O UNL A 1 31.642 21.581 -12.124 1.00 0.00 O +ATOM 23 C UNL A 1 32.592 21.019 -11.183 1.00 0.00 C +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 15 15 16 8 +CONECT 15 17 14 14 +CONECT 16 18 18 14 +CONECT 17 19 19 15 +CONECT 18 19 20 16 16 +CONECT 19 17 17 18 +CONECT 20 22 18 21 +CONECT 21 20 23 +CONECT 22 20 23 +CONECT 23 22 21 +MASTER 0 0 0 0 0 0 0 0 23 0 23 0 +END diff --git a/s1083141_cmpx.pdb b/s1083141_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..0769d240ac01d8e9ef49f3fc69212f5c43f58164 --- /dev/null +++ b/s1083141_cmpx.pdb @@ -0,0 +1,1612 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -9.2 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(-c3cccc4c3NCC4)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 18 9 19 10 20 11 21 12 9 14 +REMARK SMILES IDX 10 15 14 16 11 17 13 18 15 19 12 20 17 21 16 22 +REMARK H PARENT 21 13 15 23 +COMPND /tmp/tmppnw7xksq/57822404_s1083141_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.563 16.153 -7.661 1.00 0.00 O +ATOM 2 C UNL A 1 22.645 16.739 -7.658 1.00 0.00 C +ATOM 3 C UNL A 1 22.868 17.990 -6.789 1.00 0.00 C +ATOM 4 O UNL A 1 24.177 18.348 -6.365 1.00 0.00 O +ATOM 5 C UNL A 1 24.877 18.892 -7.407 1.00 0.00 C +ATOM 6 C UNL A 1 25.161 20.251 -7.382 1.00 0.00 C +ATOM 7 C UNL A 1 25.851 20.822 -8.451 1.00 0.00 C +ATOM 8 C UNL A 1 26.287 20.045 -9.543 1.00 0.00 C +ATOM 9 C UNL A 1 26.025 18.665 -9.514 1.00 0.00 C +ATOM 10 C UNL A 1 25.318 18.078 -8.451 1.00 0.00 C +ATOM 11 C UNL A 1 25.031 16.610 -8.407 1.00 0.00 C +ATOM 12 N UNL A 1 23.620 16.307 -8.508 1.00 0.00 N +ATOM 13 H UNL A 1 23.359 15.460 -8.997 1.00 0.00 H +ATOM 14 C UNL A 1 26.906 20.713 -10.705 1.00 0.00 C +ATOM 15 C UNL A 1 26.127 21.168 -11.788 1.00 0.00 C +ATOM 16 C UNL A 1 28.291 20.756 -10.883 1.00 0.00 C +ATOM 17 C UNL A 1 26.712 21.631 -12.983 1.00 0.00 C +ATOM 18 C UNL A 1 28.867 21.180 -12.089 1.00 0.00 C +ATOM 19 N UNL A 1 29.286 20.447 -9.893 1.00 0.00 N +ATOM 20 C UNL A 1 28.096 21.633 -13.142 1.00 0.00 C +ATOM 21 C UNL A 1 30.345 21.010 -12.014 1.00 0.00 C +ATOM 22 C UNL A 1 30.443 20.139 -10.751 1.00 0.00 C +ATOM 23 H UNL A 1 29.455 21.320 -9.383 1.00 0.00 H +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 15 15 16 8 +CONECT 15 17 14 14 +CONECT 16 18 18 14 19 +CONECT 17 20 20 15 +CONECT 18 20 21 16 16 +CONECT 19 16 22 23 +CONECT 20 17 17 18 +CONECT 21 18 22 +CONECT 22 21 19 +CONECT 23 19 +MASTER 0 0 0 0 0 0 0 0 23 0 23 0 +END diff --git a/s1094543_cmpx.pdb b/s1094543_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..223c20e2d4af380eef9543b748a79fbd5ab87ba3 --- /dev/null +++ b/s1094543_cmpx.pdb @@ -0,0 +1,1610 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.4 0.000 0.000 +REMARK CORE N12CCCNCC1=CC=N2 +REMARK SMILES O=c1[nH]c2ccc(-c3cnn4c3CNCCC4)cc2o1 +REMARK SMILES IDX 8 1 9 2 10 3 11 4 12 5 13 6 14 7 15 8 16 9 17 10 7 12 2 13 +REMARK SMILES IDX 3 14 20 15 4 16 19 17 5 18 18 19 6 20 1 21 +REMARK H PARENT 14 11 3 22 +COMPND /tmp/tmpixlu2doc/64316936_s1094543_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 C UNL A 1 26.402 20.921 -7.876 1.00 0.00 C +ATOM 2 C UNL A 1 26.616 21.868 -8.908 1.00 0.00 C +ATOM 3 N UNL A 1 27.317 22.924 -8.503 1.00 0.00 N +ATOM 4 N UNL A 1 27.571 22.663 -7.207 1.00 0.00 N +ATOM 5 C UNL A 1 27.012 21.490 -6.757 1.00 0.00 C +ATOM 6 C UNL A 1 27.151 20.987 -5.357 1.00 0.00 C +ATOM 7 N UNL A 1 27.130 21.933 -4.252 1.00 0.00 N +ATOM 8 C UNL A 1 26.821 23.317 -4.528 1.00 0.00 C +ATOM 9 C UNL A 1 28.005 24.054 -5.135 1.00 0.00 C +ATOM 10 C UNL A 1 28.473 23.549 -6.499 1.00 0.00 C +ATOM 11 H UNL A 1 27.967 21.836 -3.681 1.00 0.00 H +ATOM 12 C UNL A 1 25.689 19.648 -7.947 1.00 0.00 C +ATOM 13 C UNL A 1 22.332 16.655 -7.604 1.00 0.00 C +ATOM 14 N UNL A 1 23.479 16.204 -8.215 1.00 0.00 N +ATOM 15 O UNL A 1 22.480 17.973 -7.162 1.00 0.00 O +ATOM 16 C UNL A 1 24.383 17.223 -8.204 1.00 0.00 C +ATOM 17 C UNL A 1 23.770 18.276 -7.568 1.00 0.00 C +ATOM 18 C UNL A 1 25.659 17.300 -8.703 1.00 0.00 C +ATOM 19 C UNL A 1 24.405 19.489 -7.401 1.00 0.00 C +ATOM 20 C UNL A 1 26.311 18.536 -8.576 1.00 0.00 C +ATOM 21 O UNL A 1 21.307 15.999 -7.469 1.00 0.00 O +ATOM 22 H UNL A 1 23.577 15.282 -8.613 1.00 0.00 H +CONECT 1 2 12 5 5 +CONECT 2 3 3 1 +CONECT 3 2 2 4 +CONECT 4 3 5 10 +CONECT 5 1 1 4 6 +CONECT 6 5 7 +CONECT 7 6 8 11 +CONECT 8 9 7 +CONECT 9 10 10 8 +CONECT 10 4 9 9 +CONECT 11 7 +CONECT 12 20 20 1 19 +CONECT 13 14 21 21 15 +CONECT 14 22 16 13 +CONECT 15 13 17 +CONECT 16 18 18 14 17 +CONECT 17 16 19 19 15 +CONECT 18 20 16 16 +CONECT 19 12 17 17 +CONECT 20 18 12 12 +CONECT 21 13 13 +CONECT 22 14 +MASTER 0 0 0 0 0 0 0 0 22 0 22 0 +END diff --git a/s1119362_cmpx.pdb b/s1119362_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..73112ff4b791f0f136ea332bc55a4f1dd87470c0 --- /dev/null +++ b/s1119362_cmpx.pdb @@ -0,0 +1,1612 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.8 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(Cn3nnc4nccnc43)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 19 9 20 10 21 11 22 12 9 14 +REMARK SMILES IDX 10 15 11 16 18 17 12 18 13 19 17 20 14 21 16 22 15 23 +REMARK H PARENT 22 13 +COMPND /tmp/tmpmy35kc70/57842401_s1119362_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.666 16.048 -7.890 1.00 0.00 O +ATOM 2 C UNL A 1 22.707 16.700 -7.761 1.00 0.00 C +ATOM 3 C UNL A 1 22.781 17.900 -6.801 1.00 0.00 C +ATOM 4 O UNL A 1 24.015 18.339 -6.255 1.00 0.00 O +ATOM 5 C UNL A 1 24.768 18.974 -7.204 1.00 0.00 C +ATOM 6 C UNL A 1 25.036 20.329 -7.043 1.00 0.00 C +ATOM 7 C UNL A 1 25.860 20.985 -7.957 1.00 0.00 C +ATOM 8 C UNL A 1 26.424 20.281 -9.032 1.00 0.00 C +ATOM 9 C UNL A 1 26.144 18.910 -9.176 1.00 0.00 C +ATOM 10 C UNL A 1 25.335 18.244 -8.250 1.00 0.00 C +ATOM 11 C UNL A 1 25.140 16.761 -8.305 1.00 0.00 C +ATOM 12 N UNL A 1 23.771 16.390 -8.561 1.00 0.00 N +ATOM 13 H UNL A 1 23.610 15.558 -9.109 1.00 0.00 H +ATOM 14 C UNL A 1 27.454 20.938 -9.926 1.00 0.00 C +ATOM 15 N UNL A 1 28.717 20.238 -9.787 1.00 0.00 N +ATOM 16 N UNL A 1 29.168 19.860 -8.565 1.00 0.00 N +ATOM 17 C UNL A 1 29.701 20.159 -10.731 1.00 0.00 C +ATOM 18 N UNL A 1 30.476 19.633 -8.679 1.00 0.00 N +ATOM 19 C UNL A 1 30.828 19.837 -9.984 1.00 0.00 C +ATOM 20 N UNL A 1 29.650 20.433 -12.055 1.00 0.00 N +ATOM 21 N UNL A 1 32.067 19.793 -10.539 1.00 0.00 N +ATOM 22 C UNL A 1 30.896 20.376 -12.592 1.00 0.00 C +ATOM 23 C UNL A 1 32.049 20.088 -11.863 1.00 0.00 C +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 15 8 +CONECT 15 17 14 16 +CONECT 16 15 18 +CONECT 17 20 20 19 15 +CONECT 18 19 19 16 +CONECT 19 17 21 18 18 +CONECT 20 22 17 17 +CONECT 21 23 23 19 +CONECT 22 20 23 +CONECT 23 22 21 21 +MASTER 0 0 0 0 0 0 0 0 23 0 23 0 +END diff --git a/s114350_cmpx.pdb b/s114350_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..5e308a200858f4e22383ae349737886336adb5c5 --- /dev/null +++ b/s114350_cmpx.pdb @@ -0,0 +1,1614 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.9 0.000 0.000 +REMARK CORE O=C1CCCN1 +REMARK SMILES Cc1cc(C(=O)O)ccc1-c1ccc([C@@H]2CNC(=O)C2)cc1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 8 5 9 6 10 7 11 8 12 9 22 10 13 11 21 12 +REMARK SMILES IDX 14 13 15 14 16 15 20 16 17 17 18 18 19 20 5 21 6 22 7 23 +REMARK H PARENT 17 19 7 24 +COMPND /tmp/tmp3j9r4ed2/57855291_s114350_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 C UNL A 1 25.375 21.084 -7.163 1.00 0.00 C +ATOM 2 C UNL A 1 25.059 19.731 -7.748 1.00 0.00 C +ATOM 3 C UNL A 1 23.915 19.071 -7.245 1.00 0.00 C +ATOM 4 C UNL A 1 23.537 17.813 -7.729 1.00 0.00 C +ATOM 5 C UNL A 1 24.291 17.204 -8.723 1.00 0.00 C +ATOM 6 C UNL A 1 25.437 17.838 -9.208 1.00 0.00 C +ATOM 7 C UNL A 1 25.855 19.109 -8.747 1.00 0.00 C +ATOM 8 C UNL A 1 27.092 19.691 -9.335 1.00 0.00 C +ATOM 9 C UNL A 1 27.135 20.075 -10.690 1.00 0.00 C +ATOM 10 C UNL A 1 28.289 19.805 -8.617 1.00 0.00 C +ATOM 11 C UNL A 1 28.325 20.481 -11.315 1.00 0.00 C +ATOM 12 C UNL A 1 29.472 20.244 -9.227 1.00 0.00 C +ATOM 13 C UNL A 1 29.520 20.542 -10.597 1.00 0.00 C +ATOM 14 C UNL A 1 30.869 20.821 -11.221 1.00 0.00 C +ATOM 15 C UNL A 1 31.075 20.577 -12.719 1.00 0.00 C +ATOM 16 C UNL A 1 31.963 19.942 -10.583 1.00 0.00 C +ATOM 17 N UNL A 1 32.481 20.323 -12.831 1.00 0.00 N +ATOM 18 C UNL A 1 33.017 19.858 -11.651 1.00 0.00 C +ATOM 19 H UNL A 1 32.996 20.209 -13.697 1.00 0.00 H +ATOM 20 O UNL A 1 34.142 19.409 -11.521 1.00 0.00 O +ATOM 21 C UNL A 1 22.318 17.121 -7.243 1.00 0.00 C +ATOM 22 O UNL A 1 21.911 16.078 -7.724 1.00 0.00 O +ATOM 23 O UNL A 1 21.742 17.730 -6.189 1.00 0.00 O +ATOM 24 H UNL A 1 21.166 18.484 -6.421 1.00 0.00 H +CONECT 1 2 +CONECT 2 7 7 3 1 +CONECT 3 2 4 4 +CONECT 4 5 3 3 21 +CONECT 5 6 6 4 +CONECT 6 7 5 5 +CONECT 7 8 6 2 2 +CONECT 8 9 9 7 10 +CONECT 9 11 8 8 +CONECT 10 8 12 12 +CONECT 11 9 13 13 +CONECT 12 13 10 10 +CONECT 13 11 11 14 12 +CONECT 14 15 13 16 +CONECT 15 17 14 +CONECT 16 18 14 +CONECT 17 19 15 18 +CONECT 18 17 20 20 16 +CONECT 19 17 +CONECT 20 18 18 +CONECT 21 4 22 22 23 +CONECT 22 21 21 +CONECT 23 21 24 +CONECT 24 23 +MASTER 0 0 0 0 0 0 0 0 24 0 24 0 +END diff --git a/s1151439_cmpx.pdb b/s1151439_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..0e7a563cfbfcdbcd940124359dec54e468fd2a65 --- /dev/null +++ b/s1151439_cmpx.pdb @@ -0,0 +1,1610 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.9 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc([C@@H]3COC4(CCCC4)C3)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 18 9 19 10 20 11 21 12 9 14 +REMARK SMILES IDX 10 15 17 16 11 17 12 18 13 19 16 20 14 21 15 22 +REMARK H PARENT 21 13 +COMPND /tmp/tmpdro7wz56/64347991_s1151439_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.613 16.090 -7.777 1.00 0.00 O +ATOM 2 C UNL A 1 22.665 16.734 -7.709 1.00 0.00 C +ATOM 3 C UNL A 1 22.807 17.928 -6.747 1.00 0.00 C +ATOM 4 O UNL A 1 24.073 18.365 -6.280 1.00 0.00 O +ATOM 5 C UNL A 1 24.788 18.976 -7.273 1.00 0.00 C +ATOM 6 C UNL A 1 25.085 20.327 -7.140 1.00 0.00 C +ATOM 7 C UNL A 1 25.916 20.949 -8.076 1.00 0.00 C +ATOM 8 C UNL A 1 26.468 20.221 -9.142 1.00 0.00 C +ATOM 9 C UNL A 1 26.136 18.860 -9.265 1.00 0.00 C +ATOM 10 C UNL A 1 25.311 18.225 -8.324 1.00 0.00 C +ATOM 11 C UNL A 1 25.061 16.751 -8.376 1.00 0.00 C +ATOM 12 N UNL A 1 23.671 16.425 -8.576 1.00 0.00 N +ATOM 13 H UNL A 1 23.460 15.605 -9.129 1.00 0.00 H +ATOM 14 C UNL A 1 27.508 20.816 -10.082 1.00 0.00 C +ATOM 15 C UNL A 1 27.456 22.337 -10.062 1.00 0.00 C +ATOM 16 C UNL A 1 27.313 20.490 -11.559 1.00 0.00 C +ATOM 17 O UNL A 1 26.551 22.705 -11.110 1.00 0.00 O +ATOM 18 C UNL A 1 26.747 21.776 -12.189 1.00 0.00 C +ATOM 19 C UNL A 1 27.692 22.441 -13.207 1.00 0.00 C +ATOM 20 C UNL A 1 25.427 21.550 -12.946 1.00 0.00 C +ATOM 21 C UNL A 1 27.135 22.054 -14.564 1.00 0.00 C +ATOM 22 C UNL A 1 25.635 22.116 -14.348 1.00 0.00 C +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 16 15 8 +CONECT 15 17 14 +CONECT 16 18 14 +CONECT 17 18 15 +CONECT 18 19 20 16 17 +CONECT 19 21 18 +CONECT 20 22 18 +CONECT 21 22 19 +CONECT 22 21 20 +MASTER 0 0 0 0 0 0 0 0 22 0 22 0 +END diff --git a/s1152768_cmpx.pdb b/s1152768_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..f8f0f1364a13e77c5388320badbc219c882aa2b1 --- /dev/null +++ b/s1152768_cmpx.pdb @@ -0,0 +1,1614 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.9 0.000 0.000 +REMARK CORE C12=CC=CC=C1NCCO2 +REMARK SMILES O=C1COc2ccc(-c3cccc4c3OCCN4)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 19 9 20 10 21 11 22 12 9 14 +REMARK SMILES IDX 10 15 14 16 11 17 13 18 15 19 12 20 18 21 16 22 17 23 +REMARK H PARENT 22 13 18 24 +COMPND /tmp/tmp1zdyceeh/64348721_s1152768_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.419 16.143 -7.758 1.00 0.00 O +ATOM 2 C UNL A 1 22.535 16.664 -7.650 1.00 0.00 C +ATOM 3 C UNL A 1 22.774 17.828 -6.678 1.00 0.00 C +ATOM 4 O UNL A 1 24.078 18.182 -6.250 1.00 0.00 O +ATOM 5 C UNL A 1 24.781 18.741 -7.281 1.00 0.00 C +ATOM 6 C UNL A 1 25.037 20.104 -7.256 1.00 0.00 C +ATOM 7 C UNL A 1 25.775 20.678 -8.291 1.00 0.00 C +ATOM 8 C UNL A 1 26.307 19.896 -9.335 1.00 0.00 C +ATOM 9 C UNL A 1 26.046 18.514 -9.317 1.00 0.00 C +ATOM 10 C UNL A 1 25.270 17.930 -8.304 1.00 0.00 C +ATOM 11 C UNL A 1 24.942 16.470 -8.305 1.00 0.00 C +ATOM 12 N UNL A 1 23.529 16.230 -8.475 1.00 0.00 N +ATOM 13 H UNL A 1 23.250 15.445 -9.051 1.00 0.00 H +ATOM 14 C UNL A 1 27.087 20.532 -10.421 1.00 0.00 C +ATOM 15 C UNL A 1 26.434 20.971 -11.587 1.00 0.00 C +ATOM 16 C UNL A 1 28.492 20.653 -10.381 1.00 0.00 C +ATOM 17 C UNL A 1 27.146 21.504 -12.664 1.00 0.00 C +ATOM 18 C UNL A 1 29.233 21.117 -11.490 1.00 0.00 C +ATOM 19 O UNL A 1 29.149 20.292 -9.221 1.00 0.00 O +ATOM 20 C UNL A 1 28.537 21.580 -12.609 1.00 0.00 C +ATOM 21 N UNL A 1 30.629 21.227 -11.458 1.00 0.00 N +ATOM 22 C UNL A 1 30.377 19.641 -9.535 1.00 0.00 C +ATOM 23 C UNL A 1 31.308 20.503 -10.387 1.00 0.00 C +ATOM 24 H UNL A 1 31.065 21.158 -12.372 1.00 0.00 H +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 15 15 16 8 +CONECT 15 17 14 14 +CONECT 16 18 18 14 19 +CONECT 17 20 20 15 +CONECT 18 20 21 16 16 +CONECT 19 16 22 +CONECT 20 17 17 18 +CONECT 21 24 18 23 +CONECT 22 23 19 +CONECT 23 21 22 +CONECT 24 21 +MASTER 0 0 0 0 0 0 0 0 24 0 24 0 +END diff --git a/s1159154_cmpx.pdb b/s1159154_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..488b670e6a1fc55d9b966a0d2ab8df93133cdd08 --- /dev/null +++ b/s1159154_cmpx.pdb @@ -0,0 +1,1612 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.8 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(CN3Cc4ccccc4C3)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 19 9 20 10 21 11 22 12 9 14 +REMARK SMILES IDX 10 15 11 16 18 17 12 18 17 19 13 20 16 21 14 22 15 23 +REMARK H PARENT 22 13 +COMPND /tmp/tmp5ms1iw8m/57864112_s1159154_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.699 16.078 -7.602 1.00 0.00 O +ATOM 2 C UNL A 1 22.722 16.762 -7.660 1.00 0.00 C +ATOM 3 C UNL A 1 22.899 18.016 -6.788 1.00 0.00 C +ATOM 4 O UNL A 1 24.195 18.410 -6.364 1.00 0.00 O +ATOM 5 C UNL A 1 24.869 19.020 -7.386 1.00 0.00 C +ATOM 6 C UNL A 1 25.177 20.369 -7.259 1.00 0.00 C +ATOM 7 C UNL A 1 25.904 21.006 -8.263 1.00 0.00 C +ATOM 8 C UNL A 1 26.341 20.299 -9.397 1.00 0.00 C +ATOM 9 C UNL A 1 26.053 18.927 -9.484 1.00 0.00 C +ATOM 10 C UNL A 1 25.313 18.278 -8.483 1.00 0.00 C +ATOM 11 C UNL A 1 25.065 16.800 -8.520 1.00 0.00 C +ATOM 12 N UNL A 1 23.664 16.451 -8.600 1.00 0.00 N +ATOM 13 H UNL A 1 23.437 15.591 -9.082 1.00 0.00 H +ATOM 14 C UNL A 1 27.223 21.022 -10.399 1.00 0.00 C +ATOM 15 N UNL A 1 28.354 20.267 -10.930 1.00 0.00 N +ATOM 16 C UNL A 1 28.760 20.630 -12.309 1.00 0.00 C +ATOM 17 C UNL A 1 29.562 20.451 -10.089 1.00 0.00 C +ATOM 18 C UNL A 1 30.230 20.330 -12.340 1.00 0.00 C +ATOM 19 C UNL A 1 30.701 20.235 -11.030 1.00 0.00 C +ATOM 20 C UNL A 1 31.084 20.171 -13.417 1.00 0.00 C +ATOM 21 C UNL A 1 32.036 19.997 -10.756 1.00 0.00 C +ATOM 22 C UNL A 1 32.433 19.905 -13.155 1.00 0.00 C +ATOM 23 C UNL A 1 32.906 19.824 -11.833 1.00 0.00 C +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 15 8 +CONECT 15 16 14 17 +CONECT 16 18 15 +CONECT 17 19 15 +CONECT 18 20 20 16 19 +CONECT 19 18 21 21 17 +CONECT 20 22 18 18 +CONECT 21 23 19 19 +CONECT 22 20 23 23 +CONECT 23 22 22 21 +MASTER 0 0 0 0 0 0 0 0 23 0 23 0 +END diff --git a/s116046_cmpx.pdb b/s116046_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..de3a5e152ba3cdd209ed6b984feee63c3f8a8e8d --- /dev/null +++ b/s116046_cmpx.pdb @@ -0,0 +1,1612 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.6 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(C3=N[C@@H]4CCCC[C@@H]4N3)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 18 9 19 10 20 11 21 12 9 14 +REMARK SMILES IDX 10 15 17 16 11 17 16 18 12 19 15 20 13 21 14 22 +REMARK H PARENT 21 13 17 23 +COMPND /tmp/tmpl4bblmho/57864970_s116046_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.719 16.159 -7.796 1.00 0.00 O +ATOM 2 C UNL A 1 22.782 16.786 -7.754 1.00 0.00 C +ATOM 3 C UNL A 1 22.968 17.980 -6.802 1.00 0.00 C +ATOM 4 O UNL A 1 24.262 18.343 -6.338 1.00 0.00 O +ATOM 5 C UNL A 1 24.952 18.981 -7.331 1.00 0.00 C +ATOM 6 C UNL A 1 25.230 20.336 -7.182 1.00 0.00 C +ATOM 7 C UNL A 1 25.909 21.007 -8.196 1.00 0.00 C +ATOM 8 C UNL A 1 26.310 20.320 -9.351 1.00 0.00 C +ATOM 9 C UNL A 1 26.071 18.946 -9.467 1.00 0.00 C +ATOM 10 C UNL A 1 25.396 18.265 -8.446 1.00 0.00 C +ATOM 11 C UNL A 1 25.158 16.789 -8.507 1.00 0.00 C +ATOM 12 N UNL A 1 23.761 16.460 -8.647 1.00 0.00 N +ATOM 13 H UNL A 1 23.528 15.646 -9.199 1.00 0.00 H +ATOM 14 C UNL A 1 27.021 21.048 -10.429 1.00 0.00 C +ATOM 15 N UNL A 1 26.518 21.211 -11.633 1.00 0.00 N +ATOM 16 N UNL A 1 28.296 21.546 -10.221 1.00 0.00 N +ATOM 17 C UNL A 1 27.553 22.043 -12.335 1.00 0.00 C +ATOM 18 C UNL A 1 28.846 21.804 -11.541 1.00 0.00 C +ATOM 19 C UNL A 1 27.649 21.703 -13.819 1.00 0.00 C +ATOM 20 C UNL A 1 29.604 20.552 -12.000 1.00 0.00 C +ATOM 21 C UNL A 1 29.101 21.576 -14.276 1.00 0.00 C +ATOM 22 C UNL A 1 29.814 20.469 -13.509 1.00 0.00 C +ATOM 23 H UNL A 1 28.275 22.375 -9.632 1.00 0.00 H +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 15 16 8 +CONECT 15 17 14 +CONECT 16 18 14 23 +CONECT 17 19 15 18 +CONECT 18 17 20 16 +CONECT 19 21 17 +CONECT 20 22 18 +CONECT 21 19 22 +CONECT 22 21 20 +CONECT 23 16 +MASTER 0 0 0 0 0 0 0 0 23 0 23 0 +END diff --git a/s1190271_cmpx.pdb b/s1190271_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..14b83b11bae440e824621843b0e9072ea72ac367 --- /dev/null +++ b/s1190271_cmpx.pdb @@ -0,0 +1,1610 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.6 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc([C@@H]3COc4ccccc43)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 18 9 19 10 20 11 21 12 9 14 +REMARK SMILES IDX 10 15 17 16 11 17 12 18 16 19 13 20 15 21 14 22 +REMARK H PARENT 21 13 +COMPND /tmp/tmpci4xobyz/64369486_s1190271_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.465 15.956 -7.520 1.00 0.00 O +ATOM 2 C UNL A 1 22.454 16.684 -7.623 1.00 0.00 C +ATOM 3 C UNL A 1 22.659 17.897 -6.709 1.00 0.00 C +ATOM 4 O UNL A 1 23.960 18.307 -6.335 1.00 0.00 O +ATOM 5 C UNL A 1 24.610 18.940 -7.357 1.00 0.00 C +ATOM 6 C UNL A 1 24.961 20.275 -7.173 1.00 0.00 C +ATOM 7 C UNL A 1 25.794 20.910 -8.095 1.00 0.00 C +ATOM 8 C UNL A 1 26.303 20.206 -9.196 1.00 0.00 C +ATOM 9 C UNL A 1 25.884 18.875 -9.396 1.00 0.00 C +ATOM 10 C UNL A 1 25.042 18.230 -8.475 1.00 0.00 C +ATOM 11 C UNL A 1 24.736 16.769 -8.616 1.00 0.00 C +ATOM 12 N UNL A 1 23.324 16.460 -8.652 1.00 0.00 N +ATOM 13 H UNL A 1 23.068 15.627 -9.167 1.00 0.00 H +ATOM 14 C UNL A 1 27.353 20.855 -10.081 1.00 0.00 C +ATOM 15 C UNL A 1 28.203 21.932 -9.383 1.00 0.00 C +ATOM 16 C UNL A 1 26.773 21.691 -11.173 1.00 0.00 C +ATOM 17 O UNL A 1 27.721 23.249 -9.752 1.00 0.00 O +ATOM 18 C UNL A 1 27.006 23.032 -10.900 1.00 0.00 C +ATOM 19 C UNL A 1 26.022 21.310 -12.273 1.00 0.00 C +ATOM 20 C UNL A 1 26.499 24.037 -11.698 1.00 0.00 C +ATOM 21 C UNL A 1 25.503 22.314 -13.098 1.00 0.00 C +ATOM 22 C UNL A 1 25.739 23.670 -12.811 1.00 0.00 C +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 16 15 8 +CONECT 15 14 17 +CONECT 16 19 19 18 14 +CONECT 17 18 15 +CONECT 18 20 20 16 17 +CONECT 19 21 16 16 +CONECT 20 22 18 18 +CONECT 21 22 22 19 +CONECT 22 21 21 20 +MASTER 0 0 0 0 0 0 0 0 22 0 22 0 +END diff --git a/s1197347_cmpx.pdb b/s1197347_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..21d169393560e78f114a59b98c43588d0e800163 --- /dev/null +++ b/s1197347_cmpx.pdb @@ -0,0 +1,1610 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -9.2 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(C3Cc4ccccc4C3)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 18 9 19 10 20 11 21 12 9 14 +REMARK SMILES IDX 10 15 17 16 11 17 16 18 12 19 15 20 13 21 14 22 +REMARK H PARENT 21 13 +COMPND /tmp/tmp7jvixbhe/57885031_s1197347_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.688 16.116 -7.738 1.00 0.00 O +ATOM 2 C UNL A 1 22.746 16.750 -7.704 1.00 0.00 C +ATOM 3 C UNL A 1 22.928 17.954 -6.760 1.00 0.00 C +ATOM 4 O UNL A 1 24.213 18.369 -6.318 1.00 0.00 O +ATOM 5 C UNL A 1 24.889 18.994 -7.331 1.00 0.00 C +ATOM 6 C UNL A 1 25.159 20.356 -7.227 1.00 0.00 C +ATOM 7 C UNL A 1 25.827 21.017 -8.264 1.00 0.00 C +ATOM 8 C UNL A 1 26.237 20.310 -9.399 1.00 0.00 C +ATOM 9 C UNL A 1 25.988 18.924 -9.458 1.00 0.00 C +ATOM 10 C UNL A 1 25.332 18.254 -8.424 1.00 0.00 C +ATOM 11 C UNL A 1 25.117 16.774 -8.464 1.00 0.00 C +ATOM 12 N UNL A 1 23.727 16.419 -8.594 1.00 0.00 N +ATOM 13 H UNL A 1 23.503 15.591 -9.130 1.00 0.00 H +ATOM 14 C UNL A 1 26.908 20.935 -10.596 1.00 0.00 C +ATOM 15 C UNL A 1 26.116 21.228 -11.892 1.00 0.00 C +ATOM 16 C UNL A 1 28.131 20.112 -11.065 1.00 0.00 C +ATOM 17 C UNL A 1 27.265 21.445 -12.839 1.00 0.00 C +ATOM 18 C UNL A 1 28.416 20.796 -12.365 1.00 0.00 C +ATOM 19 C UNL A 1 27.301 22.177 -14.011 1.00 0.00 C +ATOM 20 C UNL A 1 29.617 20.854 -13.049 1.00 0.00 C +ATOM 21 C UNL A 1 28.517 22.267 -14.695 1.00 0.00 C +ATOM 22 C UNL A 1 29.664 21.612 -14.221 1.00 0.00 C +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 15 16 8 +CONECT 15 17 14 +CONECT 16 18 14 +CONECT 17 19 19 18 15 +CONECT 18 20 20 17 16 +CONECT 19 21 17 17 +CONECT 20 22 18 18 +CONECT 21 22 22 19 +CONECT 22 21 21 20 +MASTER 0 0 0 0 0 0 0 0 22 0 22 0 +END diff --git a/s1211948_cmpx.pdb b/s1211948_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..10d969ebce95a597573722e3abb0cd75f62012d4 --- /dev/null +++ b/s1211948_cmpx.pdb @@ -0,0 +1,1614 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.7 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc([C@@H]3C[C@@H](O)c4ccccc43)cc2CN1 +REMARK SMILES IDX 9 1 10 2 11 3 13 4 14 5 15 6 16 7 17 8 18 9 8 10 2 11 3 12 +REMARK SMILES IDX 22 13 4 14 21 15 5 16 20 17 6 18 19 19 7 20 1 21 12 23 +REMARK H PARENT 22 22 12 24 +COMPND /tmp/tmpdgry_86i/65327272_s1211948_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 C UNL A 1 27.315 20.520 -10.566 1.00 0.00 C +ATOM 2 C UNL A 1 28.517 21.265 -9.942 1.00 0.00 C +ATOM 3 C UNL A 1 28.023 22.695 -9.672 1.00 0.00 C +ATOM 4 C UNL A 1 27.112 22.897 -10.851 1.00 0.00 C +ATOM 5 C UNL A 1 26.602 24.074 -11.373 1.00 0.00 C +ATOM 6 C UNL A 1 25.746 23.998 -12.473 1.00 0.00 C +ATOM 7 C UNL A 1 25.407 22.756 -13.036 1.00 0.00 C +ATOM 8 C UNL A 1 25.905 21.572 -12.494 1.00 0.00 C +ATOM 9 C UNL A 1 26.741 21.654 -11.390 1.00 0.00 C +ATOM 10 C UNL A 1 26.374 19.928 -9.517 1.00 0.00 C +ATOM 11 C UNL A 1 22.528 16.675 -7.590 1.00 0.00 C +ATOM 12 C UNL A 1 22.768 17.948 -6.764 1.00 0.00 C +ATOM 13 N UNL A 1 23.439 16.290 -8.531 1.00 0.00 N +ATOM 14 O UNL A 1 24.077 18.356 -6.405 1.00 0.00 O +ATOM 15 C UNL A 1 24.853 16.573 -8.477 1.00 0.00 C +ATOM 16 C UNL A 1 24.754 18.869 -7.473 1.00 0.00 C +ATOM 17 C UNL A 1 25.175 18.036 -8.508 1.00 0.00 C +ATOM 18 C UNL A 1 25.124 20.210 -7.443 1.00 0.00 C +ATOM 19 C UNL A 1 25.977 18.578 -9.526 1.00 0.00 C +ATOM 20 C UNL A 1 25.925 20.737 -8.459 1.00 0.00 C +ATOM 21 O UNL A 1 21.479 16.036 -7.492 1.00 0.00 O +ATOM 22 H UNL A 1 23.166 15.427 -8.982 1.00 0.00 H +ATOM 23 O UNL A 1 29.120 23.588 -9.619 1.00 0.00 O +ATOM 24 H UNL A 1 29.036 24.213 -10.357 1.00 0.00 H +CONECT 1 9 2 10 +CONECT 2 1 3 +CONECT 3 4 2 23 +CONECT 4 9 9 5 3 +CONECT 5 6 6 4 +CONECT 6 7 5 5 +CONECT 7 8 8 6 +CONECT 8 7 7 9 +CONECT 9 8 4 4 1 +CONECT 10 1 19 19 20 +CONECT 11 13 21 21 12 +CONECT 12 11 14 +CONECT 13 22 15 11 +CONECT 14 16 12 +CONECT 15 13 17 +CONECT 16 17 17 18 14 +CONECT 17 19 15 16 16 +CONECT 18 20 20 16 +CONECT 19 10 10 17 +CONECT 20 10 18 18 +CONECT 21 11 11 +CONECT 22 13 +CONECT 23 24 3 +CONECT 24 23 +MASTER 0 0 0 0 0 0 0 0 24 0 24 0 +END diff --git a/s1235511_cmpx.pdb b/s1235511_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..6be05a54ff498012adef16eb764f4ef3dd3d9023 --- /dev/null +++ b/s1235511_cmpx.pdb @@ -0,0 +1,1612 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.8 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(C(=O)[C@@H]3Cc4ccccc43)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 19 9 20 10 21 11 22 12 9 14 +REMARK SMILES IDX 10 15 11 16 12 17 18 18 13 19 17 20 14 21 16 22 15 23 +REMARK H PARENT 22 13 +COMPND /tmp/tmpyipuafr4/57905911_s1235511_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.835 16.093 -7.841 1.00 0.00 O +ATOM 2 C UNL A 1 22.869 16.756 -7.747 1.00 0.00 C +ATOM 3 C UNL A 1 22.963 17.953 -6.787 1.00 0.00 C +ATOM 4 O UNL A 1 24.215 18.386 -6.278 1.00 0.00 O +ATOM 5 C UNL A 1 24.931 19.035 -7.244 1.00 0.00 C +ATOM 6 C UNL A 1 25.165 20.398 -7.095 1.00 0.00 C +ATOM 7 C UNL A 1 25.953 21.079 -8.029 1.00 0.00 C +ATOM 8 C UNL A 1 26.532 20.387 -9.096 1.00 0.00 C +ATOM 9 C UNL A 1 26.289 19.006 -9.225 1.00 0.00 C +ATOM 10 C UNL A 1 25.490 18.319 -8.300 1.00 0.00 C +ATOM 11 C UNL A 1 25.286 16.837 -8.380 1.00 0.00 C +ATOM 12 N UNL A 1 23.905 16.468 -8.588 1.00 0.00 N +ATOM 13 H UNL A 1 23.727 15.635 -9.135 1.00 0.00 H +ATOM 14 C UNL A 1 27.505 21.001 -10.050 1.00 0.00 C +ATOM 15 O UNL A 1 28.248 21.870 -9.564 1.00 0.00 O +ATOM 16 C UNL A 1 27.637 20.587 -11.524 1.00 0.00 C +ATOM 17 C UNL A 1 28.837 20.982 -12.446 1.00 0.00 C +ATOM 18 C UNL A 1 26.766 21.341 -12.494 1.00 0.00 C +ATOM 19 C UNL A 1 27.816 21.641 -13.330 1.00 0.00 C +ATOM 20 C UNL A 1 25.468 21.675 -12.793 1.00 0.00 C +ATOM 21 C UNL A 1 27.626 22.306 -14.519 1.00 0.00 C +ATOM 22 C UNL A 1 25.244 22.349 -13.994 1.00 0.00 C +ATOM 23 C UNL A 1 26.315 22.661 -14.852 1.00 0.00 C +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 16 15 15 8 +CONECT 15 14 14 +CONECT 16 18 17 14 +CONECT 17 19 16 +CONECT 18 19 19 20 16 +CONECT 19 21 18 18 17 +CONECT 20 22 22 18 +CONECT 21 23 23 19 +CONECT 22 23 20 20 +CONECT 23 21 21 22 +MASTER 0 0 0 0 0 0 0 0 23 0 23 0 +END diff --git a/s1264539_cmpx.pdb b/s1264539_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..57b684c62fe6204eb4697b17b7e0b27a527d82b4 --- /dev/null +++ b/s1264539_cmpx.pdb @@ -0,0 +1,1614 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.7 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(-c3cc4c(cn3)CNCC4)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 19 9 20 10 21 11 22 12 9 14 +REMARK SMILES IDX 10 15 14 16 11 17 13 18 12 19 18 20 15 21 17 22 16 23 +REMARK H PARENT 22 13 16 24 +COMPND /tmp/tmp9hckhhw4/57921245_s1264539_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.669 16.077 -7.672 1.00 0.00 O +ATOM 2 C UNL A 1 22.727 16.711 -7.669 1.00 0.00 C +ATOM 3 C UNL A 1 22.907 17.963 -6.792 1.00 0.00 C +ATOM 4 O UNL A 1 24.196 18.396 -6.384 1.00 0.00 O +ATOM 5 C UNL A 1 24.881 18.950 -7.430 1.00 0.00 C +ATOM 6 C UNL A 1 25.171 20.306 -7.388 1.00 0.00 C +ATOM 7 C UNL A 1 25.913 20.878 -8.427 1.00 0.00 C +ATOM 8 C UNL A 1 26.394 20.118 -9.514 1.00 0.00 C +ATOM 9 C UNL A 1 26.103 18.739 -9.505 1.00 0.00 C +ATOM 10 C UNL A 1 25.358 18.147 -8.466 1.00 0.00 C +ATOM 11 C UNL A 1 25.109 16.669 -8.407 1.00 0.00 C +ATOM 12 N UNL A 1 23.712 16.333 -8.537 1.00 0.00 N +ATOM 13 H UNL A 1 23.481 15.476 -9.022 1.00 0.00 H +ATOM 14 C UNL A 1 27.192 20.774 -10.584 1.00 0.00 C +ATOM 15 C UNL A 1 28.197 20.139 -11.312 1.00 0.00 C +ATOM 16 N UNL A 1 26.848 22.060 -10.844 1.00 0.00 N +ATOM 17 C UNL A 1 28.872 20.840 -12.337 1.00 0.00 C +ATOM 18 C UNL A 1 27.499 22.713 -11.835 1.00 0.00 C +ATOM 19 C UNL A 1 28.510 22.161 -12.601 1.00 0.00 C +ATOM 20 C UNL A 1 29.923 20.172 -13.176 1.00 0.00 C +ATOM 21 C UNL A 1 29.122 22.916 -13.744 1.00 0.00 C +ATOM 22 C UNL A 1 30.719 21.107 -14.117 1.00 0.00 C +ATOM 23 N UNL A 1 30.518 22.552 -13.992 1.00 0.00 N +ATOM 24 H UNL A 1 31.091 22.914 -13.232 1.00 0.00 H +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 15 15 16 8 +CONECT 15 17 14 14 +CONECT 16 18 18 14 +CONECT 17 20 19 19 15 +CONECT 18 19 16 16 +CONECT 19 21 17 17 18 +CONECT 20 22 22 17 +CONECT 21 23 19 +CONECT 22 23 20 20 +CONECT 23 22 21 24 +CONECT 24 23 +MASTER 0 0 0 0 0 0 0 0 24 0 24 0 +END diff --git a/s127256_cmpx.pdb b/s127256_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..7047f4ad3f5c538f4c98aa592f16ff94325c964c --- /dev/null +++ b/s127256_cmpx.pdb @@ -0,0 +1,1612 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.6 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(OC3Cc4ccccc4C3)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 19 9 20 10 21 11 22 12 9 14 +REMARK SMILES IDX 10 15 11 16 18 17 12 18 17 19 13 20 16 21 14 22 15 23 +REMARK H PARENT 22 13 +COMPND /tmp/tmpwcuf6y9q/65393008_s127256_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.689 16.034 -7.650 1.00 0.00 O +ATOM 2 C UNL A 1 22.700 16.738 -7.686 1.00 0.00 C +ATOM 3 C UNL A 1 22.819 18.014 -6.837 1.00 0.00 C +ATOM 4 O UNL A 1 24.082 18.462 -6.375 1.00 0.00 O +ATOM 5 C UNL A 1 24.813 19.030 -7.380 1.00 0.00 C +ATOM 6 C UNL A 1 25.130 20.380 -7.280 1.00 0.00 C +ATOM 7 C UNL A 1 25.956 20.965 -8.239 1.00 0.00 C +ATOM 8 C UNL A 1 26.469 20.207 -9.296 1.00 0.00 C +ATOM 9 C UNL A 1 26.152 18.848 -9.381 1.00 0.00 C +ATOM 10 C UNL A 1 25.326 18.247 -8.414 1.00 0.00 C +ATOM 11 C UNL A 1 25.072 16.770 -8.426 1.00 0.00 C +ATOM 12 N UNL A 1 23.679 16.425 -8.583 1.00 0.00 N +ATOM 13 H UNL A 1 23.480 15.553 -9.055 1.00 0.00 H +ATOM 14 O UNL A 1 27.302 20.891 -10.135 1.00 0.00 O +ATOM 15 C UNL A 1 28.296 20.158 -10.853 1.00 0.00 C +ATOM 16 C UNL A 1 28.627 20.831 -12.204 1.00 0.00 C +ATOM 17 C UNL A 1 29.607 20.172 -10.031 1.00 0.00 C +ATOM 18 C UNL A 1 30.101 20.626 -12.319 1.00 0.00 C +ATOM 19 C UNL A 1 30.656 20.259 -11.091 1.00 0.00 C +ATOM 20 C UNL A 1 30.896 20.805 -13.438 1.00 0.00 C +ATOM 21 C UNL A 1 32.021 20.064 -10.956 1.00 0.00 C +ATOM 22 C UNL A 1 32.272 20.599 -13.315 1.00 0.00 C +ATOM 23 C UNL A 1 32.831 20.232 -12.080 1.00 0.00 C +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 15 8 +CONECT 15 16 14 17 +CONECT 16 18 15 +CONECT 17 19 15 +CONECT 18 20 20 16 19 +CONECT 19 18 21 21 17 +CONECT 20 22 18 18 +CONECT 21 23 19 19 +CONECT 22 20 23 23 +CONECT 23 22 22 21 +MASTER 0 0 0 0 0 0 0 0 23 0 23 0 +END diff --git a/s1282746_cmpx.pdb b/s1282746_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..163ff0bcd02fee7e8ff9181d831e322e902b7c9a --- /dev/null +++ b/s1282746_cmpx.pdb @@ -0,0 +1,1608 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.5 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc([C@@H]3C[C@@H]4CC(=O)[C@H]3C4)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 17 9 18 10 19 11 20 12 9 14 +REMARK SMILES IDX 10 15 15 16 11 17 13 18 16 19 12 20 14 21 +REMARK H PARENT 20 13 +COMPND /tmp/tmp0h0sxobc/65403608_s1282746_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.715 16.079 -7.799 1.00 0.00 O +ATOM 2 C UNL A 1 22.750 16.747 -7.751 1.00 0.00 C +ATOM 3 C UNL A 1 22.879 17.963 -6.815 1.00 0.00 C +ATOM 4 O UNL A 1 24.144 18.371 -6.308 1.00 0.00 O +ATOM 5 C UNL A 1 24.876 18.999 -7.278 1.00 0.00 C +ATOM 6 C UNL A 1 25.169 20.350 -7.131 1.00 0.00 C +ATOM 7 C UNL A 1 25.918 21.009 -8.109 1.00 0.00 C +ATOM 8 C UNL A 1 26.397 20.324 -9.237 1.00 0.00 C +ATOM 9 C UNL A 1 26.096 18.955 -9.352 1.00 0.00 C +ATOM 10 C UNL A 1 25.366 18.278 -8.364 1.00 0.00 C +ATOM 11 C UNL A 1 25.139 16.799 -8.431 1.00 0.00 C +ATOM 12 N UNL A 1 23.755 16.451 -8.627 1.00 0.00 N +ATOM 13 H UNL A 1 23.560 15.611 -9.157 1.00 0.00 H +ATOM 14 C UNL A 1 27.118 21.044 -10.356 1.00 0.00 C +ATOM 15 C UNL A 1 27.777 20.147 -11.449 1.00 0.00 C +ATOM 16 C UNL A 1 28.276 22.001 -9.999 1.00 0.00 C +ATOM 17 C UNL A 1 29.164 20.790 -11.667 1.00 0.00 C +ATOM 18 C UNL A 1 29.411 21.188 -9.405 1.00 0.00 C +ATOM 19 C UNL A 1 28.888 22.266 -11.380 1.00 0.00 C +ATOM 20 C UNL A 1 30.091 20.396 -10.499 1.00 0.00 C +ATOM 21 O UNL A 1 29.730 21.176 -8.226 1.00 0.00 O +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 15 16 8 +CONECT 15 17 14 +CONECT 16 19 14 18 +CONECT 17 15 19 20 +CONECT 18 20 16 21 21 +CONECT 19 17 16 +CONECT 20 17 18 +CONECT 21 18 18 +MASTER 0 0 0 0 0 0 0 0 21 0 21 0 +END diff --git a/s1300063_cmpx.pdb b/s1300063_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..7a16739e5b311a32245b139cc042d028f94d6681 --- /dev/null +++ b/s1300063_cmpx.pdb @@ -0,0 +1,1610 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -9.0 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc([C@H]3Cc4ccccc4O3)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 18 9 19 10 20 11 21 12 9 14 +REMARK SMILES IDX 10 15 17 16 11 17 16 18 12 19 15 20 13 21 14 22 +REMARK H PARENT 21 13 +COMPND /tmp/tmpjgs17qp0/65423418_s1300063_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.595 16.013 -7.634 1.00 0.00 O +ATOM 2 C UNL A 1 22.604 16.717 -7.673 1.00 0.00 C +ATOM 3 C UNL A 1 22.761 17.946 -6.761 1.00 0.00 C +ATOM 4 O UNL A 1 24.043 18.374 -6.327 1.00 0.00 O +ATOM 5 C UNL A 1 24.731 18.998 -7.330 1.00 0.00 C +ATOM 6 C UNL A 1 25.045 20.345 -7.175 1.00 0.00 C +ATOM 7 C UNL A 1 25.813 20.995 -8.145 1.00 0.00 C +ATOM 8 C UNL A 1 26.278 20.300 -9.271 1.00 0.00 C +ATOM 9 C UNL A 1 25.967 18.935 -9.399 1.00 0.00 C +ATOM 10 C UNL A 1 25.199 18.272 -8.427 1.00 0.00 C +ATOM 11 C UNL A 1 24.946 16.798 -8.506 1.00 0.00 C +ATOM 12 N UNL A 1 23.550 16.455 -8.623 1.00 0.00 N +ATOM 13 H UNL A 1 23.331 15.613 -9.139 1.00 0.00 H +ATOM 14 C UNL A 1 27.117 21.019 -10.308 1.00 0.00 C +ATOM 15 C UNL A 1 28.351 20.226 -10.778 1.00 0.00 C +ATOM 16 O UNL A 1 26.323 21.345 -11.483 1.00 0.00 O +ATOM 17 C UNL A 1 28.468 20.799 -12.143 1.00 0.00 C +ATOM 18 C UNL A 1 27.257 21.384 -12.488 1.00 0.00 C +ATOM 19 C UNL A 1 29.522 20.774 -13.039 1.00 0.00 C +ATOM 20 C UNL A 1 27.039 21.943 -13.728 1.00 0.00 C +ATOM 21 C UNL A 1 29.332 21.361 -14.294 1.00 0.00 C +ATOM 22 C UNL A 1 28.097 21.936 -14.640 1.00 0.00 C +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 16 15 8 +CONECT 15 17 14 +CONECT 16 18 14 +CONECT 17 19 19 18 15 +CONECT 18 20 20 17 16 +CONECT 19 21 17 17 +CONECT 20 22 18 18 +CONECT 21 22 22 19 +CONECT 22 21 21 20 +MASTER 0 0 0 0 0 0 0 0 22 0 22 0 +END diff --git a/s1315327_cmpx.pdb b/s1315327_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..55ba18ceb0dea6bdc302fda42ff904a86023d739 --- /dev/null +++ b/s1315327_cmpx.pdb @@ -0,0 +1,1612 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.8 0.000 0.000 +REMARK CORE NC(C1=CC=CC=C1)=O +REMARK SMILES NC(=O)c1cccc(C(=O)[C@@H]2CCc3ccccc3C2)c1 +REMARK SMILES IDX 4 1 5 2 6 3 7 4 8 5 21 6 2 7 1 8 3 11 9 12 10 13 11 14 12 15 +REMARK SMILES IDX 20 16 13 17 19 18 14 19 18 20 15 21 17 22 16 23 +REMARK H PARENT 1 9 1 10 +COMPND /tmp/tmpvcdp8i89/65439221_s1315327_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 C UNL A 1 23.529 17.344 -7.680 1.00 0.00 C +ATOM 2 C UNL A 1 24.345 16.429 -8.353 1.00 0.00 C +ATOM 3 C UNL A 1 25.612 16.818 -8.785 1.00 0.00 C +ATOM 4 C UNL A 1 26.063 18.119 -8.547 1.00 0.00 C +ATOM 5 C UNL A 1 25.252 19.050 -7.880 1.00 0.00 C +ATOM 6 C UNL A 1 23.979 18.654 -7.453 1.00 0.00 C +ATOM 7 C UNL A 1 22.167 16.984 -7.207 1.00 0.00 C +ATOM 8 N UNL A 1 21.608 17.771 -6.241 1.00 0.00 N +ATOM 9 H UNL A 1 20.644 17.575 -6.006 1.00 0.00 H +ATOM 10 H UNL A 1 21.973 18.680 -5.996 1.00 0.00 H +ATOM 11 O UNL A 1 21.551 16.046 -7.694 1.00 0.00 O +ATOM 12 C UNL A 1 25.799 20.425 -7.649 1.00 0.00 C +ATOM 13 O UNL A 1 25.231 21.158 -6.834 1.00 0.00 O +ATOM 14 C UNL A 1 26.995 20.914 -8.457 1.00 0.00 C +ATOM 15 C UNL A 1 26.594 21.265 -9.916 1.00 0.00 C +ATOM 16 C UNL A 1 28.113 19.857 -8.356 1.00 0.00 C +ATOM 17 C UNL A 1 27.257 20.364 -10.960 1.00 0.00 C +ATOM 18 C UNL A 1 29.172 20.121 -9.392 1.00 0.00 C +ATOM 19 C UNL A 1 28.742 20.376 -10.706 1.00 0.00 C +ATOM 20 C UNL A 1 30.534 20.149 -9.085 1.00 0.00 C +ATOM 21 C UNL A 1 29.670 20.687 -11.698 1.00 0.00 C +ATOM 22 C UNL A 1 31.457 20.475 -10.078 1.00 0.00 C +ATOM 23 C UNL A 1 31.026 20.749 -11.378 1.00 0.00 C +CONECT 1 2 2 6 7 +CONECT 2 3 1 1 +CONECT 3 4 4 2 +CONECT 4 3 3 5 +CONECT 5 4 12 6 6 +CONECT 6 5 5 1 +CONECT 7 11 11 1 8 +CONECT 8 7 9 10 +CONECT 9 8 +CONECT 10 8 +CONECT 11 7 7 +CONECT 12 14 5 13 13 +CONECT 13 12 12 +CONECT 14 15 16 12 +CONECT 15 17 14 +CONECT 16 18 14 +CONECT 17 19 15 +CONECT 18 19 19 20 16 +CONECT 19 21 17 18 18 +CONECT 20 22 22 18 +CONECT 21 23 23 19 +CONECT 22 23 20 20 +CONECT 23 21 21 22 +MASTER 0 0 0 0 0 0 0 0 23 0 23 0 +END diff --git a/s133276_cmpx.pdb b/s133276_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..1435bd119045f5e669437ff6286edcafa72dad59 --- /dev/null +++ b/s133276_cmpx.pdb @@ -0,0 +1,1612 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.6 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc([C@H]3COc4ccccc4O3)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 19 9 20 10 21 11 22 12 9 14 +REMARK SMILES IDX 10 15 18 16 11 17 17 18 12 19 16 20 13 21 15 22 14 23 +REMARK H PARENT 22 13 +COMPND /tmp/tmpzl3k6nhw/65457568_s133276_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.701 16.071 -7.717 1.00 0.00 O +ATOM 2 C UNL A 1 22.749 16.721 -7.671 1.00 0.00 C +ATOM 3 C UNL A 1 22.885 17.959 -6.764 1.00 0.00 C +ATOM 4 O UNL A 1 24.154 18.401 -6.311 1.00 0.00 O +ATOM 5 C UNL A 1 24.847 19.002 -7.322 1.00 0.00 C +ATOM 6 C UNL A 1 25.105 20.364 -7.235 1.00 0.00 C +ATOM 7 C UNL A 1 25.858 20.996 -8.231 1.00 0.00 C +ATOM 8 C UNL A 1 26.368 20.262 -9.311 1.00 0.00 C +ATOM 9 C UNL A 1 26.106 18.875 -9.370 1.00 0.00 C +ATOM 10 C UNL A 1 25.360 18.235 -8.375 1.00 0.00 C +ATOM 11 C UNL A 1 25.146 16.752 -8.373 1.00 0.00 C +ATOM 12 N UNL A 1 23.760 16.380 -8.525 1.00 0.00 N +ATOM 13 H UNL A 1 23.558 15.532 -9.040 1.00 0.00 H +ATOM 14 C UNL A 1 27.257 20.935 -10.347 1.00 0.00 C +ATOM 15 C UNL A 1 28.640 20.257 -10.363 1.00 0.00 C +ATOM 16 O UNL A 1 26.587 20.909 -11.611 1.00 0.00 O +ATOM 17 O UNL A 1 29.408 20.357 -11.564 1.00 0.00 O +ATOM 18 C UNL A 1 27.434 21.309 -12.606 1.00 0.00 C +ATOM 19 C UNL A 1 28.791 21.005 -12.589 1.00 0.00 C +ATOM 20 C UNL A 1 26.885 22.012 -13.677 1.00 0.00 C +ATOM 21 C UNL A 1 29.597 21.364 -13.668 1.00 0.00 C +ATOM 22 C UNL A 1 27.704 22.419 -14.733 1.00 0.00 C +ATOM 23 C UNL A 1 29.057 22.082 -14.735 1.00 0.00 C +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 16 15 8 +CONECT 15 17 14 +CONECT 16 18 14 +CONECT 17 19 15 +CONECT 18 20 20 19 16 +CONECT 19 21 21 18 17 +CONECT 20 22 18 18 +CONECT 21 23 19 19 +CONECT 22 23 23 20 +CONECT 23 22 22 21 +MASTER 0 0 0 0 0 0 0 0 23 0 23 0 +END diff --git a/s1333057_cmpx.pdb b/s1333057_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..314fb62e9e336222ccf01f41d1c2de04686474ce --- /dev/null +++ b/s1333057_cmpx.pdb @@ -0,0 +1,1612 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -9.2 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc([C@@H]3CCc4c(F)cccc43)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 19 9 20 10 21 11 22 12 9 14 +REMARK SMILES IDX 10 15 18 16 11 17 12 18 17 19 13 20 16 21 15 22 14 23 +REMARK H PARENT 22 13 +COMPND /tmp/tmpx1x9d8p7/65457860_s1333057_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.727 16.056 -7.642 1.00 0.00 O +ATOM 2 C UNL A 1 22.721 16.786 -7.693 1.00 0.00 C +ATOM 3 C UNL A 1 22.958 17.881 -6.648 1.00 0.00 C +ATOM 4 O UNL A 1 24.265 18.336 -6.355 1.00 0.00 O +ATOM 5 C UNL A 1 24.768 19.109 -7.363 1.00 0.00 C +ATOM 6 C UNL A 1 25.037 20.444 -7.084 1.00 0.00 C +ATOM 7 C UNL A 1 25.750 21.212 -8.003 1.00 0.00 C +ATOM 8 C UNL A 1 26.218 20.641 -9.199 1.00 0.00 C +ATOM 9 C UNL A 1 25.876 19.307 -9.491 1.00 0.00 C +ATOM 10 C UNL A 1 25.156 18.527 -8.571 1.00 0.00 C +ATOM 11 C UNL A 1 24.944 17.061 -8.801 1.00 0.00 C +ATOM 12 N UNL A 1 23.556 16.661 -8.767 1.00 0.00 N +ATOM 13 H UNL A 1 23.291 15.877 -9.348 1.00 0.00 H +ATOM 14 C UNL A 1 27.268 21.335 -10.048 1.00 0.00 C +ATOM 15 C UNL A 1 26.956 21.028 -11.540 1.00 0.00 C +ATOM 16 C UNL A 1 28.692 20.850 -9.949 1.00 0.00 C +ATOM 17 C UNL A 1 28.282 21.042 -12.299 1.00 0.00 C +ATOM 18 C UNL A 1 29.233 20.638 -11.223 1.00 0.00 C +ATOM 19 C UNL A 1 29.468 20.655 -8.813 1.00 0.00 C +ATOM 20 C UNL A 1 30.520 20.161 -11.373 1.00 0.00 C +ATOM 21 C UNL A 1 30.775 20.178 -8.967 1.00 0.00 C +ATOM 22 C UNL A 1 31.294 19.914 -10.243 1.00 0.00 C +ATOM 23 F UNL A 1 31.022 19.932 -12.592 1.00 0.00 F +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 15 16 8 +CONECT 15 17 14 +CONECT 16 18 18 14 19 +CONECT 17 15 18 +CONECT 18 17 20 16 16 +CONECT 19 16 21 21 +CONECT 20 23 18 22 22 +CONECT 21 22 19 19 +CONECT 22 20 20 21 +CONECT 23 20 +MASTER 0 0 0 0 0 0 0 0 23 0 23 0 +END diff --git a/s1338668_cmpx.pdb b/s1338668_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..9e506917fad71c69dbe5fb24a3bdd9efe991200f --- /dev/null +++ b/s1338668_cmpx.pdb @@ -0,0 +1,1606 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.7 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc([C@]34CC[C@H](CC3)C4)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 16 9 17 10 18 11 19 12 9 14 +REMARK SMILES IDX 10 15 14 16 15 17 11 18 13 19 12 20 +REMARK H PARENT 19 13 +COMPND /tmp/tmpe_f3m_xr/57960766_s1338668_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.647 15.997 -7.658 1.00 0.00 O +ATOM 2 C UNL A 1 22.662 16.696 -7.697 1.00 0.00 C +ATOM 3 C UNL A 1 22.841 17.908 -6.765 1.00 0.00 C +ATOM 4 O UNL A 1 24.130 18.328 -6.348 1.00 0.00 O +ATOM 5 C UNL A 1 24.792 18.965 -7.363 1.00 0.00 C +ATOM 6 C UNL A 1 25.083 20.315 -7.222 1.00 0.00 C +ATOM 7 C UNL A 1 25.798 20.980 -8.225 1.00 0.00 C +ATOM 8 C UNL A 1 26.242 20.297 -9.365 1.00 0.00 C +ATOM 9 C UNL A 1 25.952 18.923 -9.473 1.00 0.00 C +ATOM 10 C UNL A 1 25.237 18.247 -8.471 1.00 0.00 C +ATOM 11 C UNL A 1 24.993 16.773 -8.545 1.00 0.00 C +ATOM 12 N UNL A 1 23.593 16.441 -8.664 1.00 0.00 N +ATOM 13 H UNL A 1 23.363 15.614 -9.199 1.00 0.00 H +ATOM 14 C UNL A 1 27.026 20.983 -10.459 1.00 0.00 C +ATOM 15 C UNL A 1 28.279 20.191 -10.919 1.00 0.00 C +ATOM 16 C UNL A 1 27.481 22.420 -10.087 1.00 0.00 C +ATOM 17 C UNL A 1 26.331 21.239 -11.811 1.00 0.00 C +ATOM 18 C UNL A 1 28.625 20.823 -12.275 1.00 0.00 C +ATOM 19 C UNL A 1 27.832 23.046 -11.445 1.00 0.00 C +ATOM 20 C UNL A 1 27.552 21.908 -12.438 1.00 0.00 C +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 17 15 16 8 +CONECT 15 18 14 +CONECT 16 19 14 +CONECT 17 20 14 +CONECT 18 20 15 +CONECT 19 20 16 +CONECT 20 18 17 19 +MASTER 0 0 0 0 0 0 0 0 20 0 20 0 +END diff --git a/s1355408_cmpx.pdb b/s1355408_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..b417d008330dc12b0a385ea17c194a05f6a6830e --- /dev/null +++ b/s1355408_cmpx.pdb @@ -0,0 +1,1614 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.8 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(C3=CC4=NC(=O)N[C@H]4CC3)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 19 9 20 10 21 11 22 12 9 14 +REMARK SMILES IDX 10 15 18 16 11 17 17 18 12 19 16 20 13 21 15 22 14 23 +REMARK H PARENT 22 13 15 24 +COMPND /tmp/tmpx2lle4b2/65482352_s1355408_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.594 16.036 -7.513 1.00 0.00 O +ATOM 2 C UNL A 1 22.642 16.682 -7.592 1.00 0.00 C +ATOM 3 C UNL A 1 22.854 17.970 -6.779 1.00 0.00 C +ATOM 4 O UNL A 1 24.154 18.388 -6.385 1.00 0.00 O +ATOM 5 C UNL A 1 24.855 18.892 -7.445 1.00 0.00 C +ATOM 6 C UNL A 1 25.204 20.240 -7.429 1.00 0.00 C +ATOM 7 C UNL A 1 25.966 20.771 -8.473 1.00 0.00 C +ATOM 8 C UNL A 1 26.391 19.948 -9.522 1.00 0.00 C +ATOM 9 C UNL A 1 26.053 18.587 -9.513 1.00 0.00 C +ATOM 10 C UNL A 1 25.289 18.046 -8.467 1.00 0.00 C +ATOM 11 C UNL A 1 24.988 16.581 -8.395 1.00 0.00 C +ATOM 12 N UNL A 1 23.580 16.292 -8.506 1.00 0.00 N +ATOM 13 H UNL A 1 23.326 15.421 -8.956 1.00 0.00 H +ATOM 14 C UNL A 1 27.228 20.489 -10.606 1.00 0.00 C +ATOM 15 C UNL A 1 28.555 20.293 -10.544 1.00 0.00 C +ATOM 16 C UNL A 1 26.500 21.188 -11.733 1.00 0.00 C +ATOM 17 C UNL A 1 29.362 20.788 -11.666 1.00 0.00 C +ATOM 18 C UNL A 1 27.360 21.525 -12.962 1.00 0.00 C +ATOM 19 N UNL A 1 30.564 20.396 -11.942 1.00 0.00 N +ATOM 20 C UNL A 1 28.793 21.828 -12.589 1.00 0.00 C +ATOM 21 C UNL A 1 30.873 20.984 -13.144 1.00 0.00 C +ATOM 22 N UNL A 1 29.768 21.645 -13.619 1.00 0.00 N +ATOM 23 O UNL A 1 31.939 20.940 -13.723 1.00 0.00 O +ATOM 24 H UNL A 1 29.892 22.235 -14.429 1.00 0.00 H +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 16 15 15 8 +CONECT 15 17 14 14 +CONECT 16 18 14 +CONECT 17 20 19 15 +CONECT 18 20 16 +CONECT 19 21 17 +CONECT 20 22 18 17 +CONECT 21 23 23 22 19 +CONECT 22 24 21 20 +CONECT 23 21 21 +CONECT 24 22 +MASTER 0 0 0 0 0 0 0 0 24 0 24 0 +END diff --git a/s1381130_cmpx.pdb b/s1381130_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..a446e752ae60bde9d051d311e4f24e35da09164f --- /dev/null +++ b/s1381130_cmpx.pdb @@ -0,0 +1,1608 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.5 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(Cc3ncccc3F)cc2CN1 +REMARK SMILES IDX 9 1 8 2 2 3 3 4 20 5 4 6 19 7 5 8 18 9 6 10 17 11 7 12 1 13 +REMARK SMILES IDX 10 15 11 16 15 17 12 18 14 19 13 20 16 21 +REMARK H PARENT 20 14 +COMPND /tmp/tmpyni7005m/57982962_s1381130_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 C UNL A 1 26.994 20.700 -10.539 1.00 0.00 C +ATOM 2 C UNL A 1 26.226 20.063 -9.402 1.00 0.00 C +ATOM 3 C UNL A 1 22.561 16.673 -7.610 1.00 0.00 C +ATOM 4 C UNL A 1 22.766 17.921 -6.732 1.00 0.00 C +ATOM 5 N UNL A 1 23.518 16.311 -8.513 1.00 0.00 N +ATOM 6 O UNL A 1 24.061 18.315 -6.306 1.00 0.00 O +ATOM 7 C UNL A 1 24.923 16.616 -8.392 1.00 0.00 C +ATOM 8 C UNL A 1 24.761 18.879 -7.340 1.00 0.00 C +ATOM 9 C UNL A 1 25.201 18.087 -8.402 1.00 0.00 C +ATOM 10 C UNL A 1 25.079 20.232 -7.270 1.00 0.00 C +ATOM 11 C UNL A 1 25.933 18.689 -9.432 1.00 0.00 C +ATOM 12 C UNL A 1 25.806 20.826 -8.303 1.00 0.00 C +ATOM 13 O UNL A 1 21.503 16.038 -7.586 1.00 0.00 O +ATOM 14 H UNL A 1 23.271 15.464 -9.009 1.00 0.00 H +ATOM 15 C UNL A 1 28.481 20.450 -10.504 1.00 0.00 C +ATOM 16 N UNL A 1 29.041 20.135 -9.301 1.00 0.00 N +ATOM 17 C UNL A 1 29.232 20.518 -11.674 1.00 0.00 C +ATOM 18 C UNL A 1 30.370 19.881 -9.285 1.00 0.00 C +ATOM 19 C UNL A 1 30.592 20.243 -11.631 1.00 0.00 C +ATOM 20 C UNL A 1 31.177 19.916 -10.413 1.00 0.00 C +ATOM 21 F UNL A 1 28.657 20.821 -12.846 1.00 0.00 F +CONECT 1 15 2 +CONECT 2 1 11 11 12 +CONECT 3 5 13 13 4 +CONECT 4 3 6 +CONECT 5 14 7 3 +CONECT 6 8 4 +CONECT 7 5 9 +CONECT 8 9 9 10 6 +CONECT 9 11 7 8 8 +CONECT 10 12 12 8 +CONECT 11 2 2 9 +CONECT 12 2 10 10 +CONECT 13 3 3 +CONECT 14 5 +CONECT 15 17 17 1 16 +CONECT 16 15 18 18 +CONECT 17 21 19 15 15 +CONECT 18 20 16 16 +CONECT 19 17 20 20 +CONECT 20 19 19 18 +CONECT 21 17 +MASTER 0 0 0 0 0 0 0 0 21 0 21 0 +END diff --git a/s139171_cmpx.pdb b/s139171_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..5ff2ff047b761c5a4d6ec73e8f31e59d9485712c --- /dev/null +++ b/s139171_cmpx.pdb @@ -0,0 +1,1608 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.6 0.000 0.000 +REMARK CORE N12CCNCC1=CC=N2 +REMARK SMILES Oc1cc2cc(N3CCn4nccc4C3)ccc2[nH]1 +REMARK SMILES IDX 2 1 3 2 4 3 5 4 6 5 16 6 17 7 18 8 19 9 1 11 7 13 8 14 15 15 +REMARK SMILES IDX 9 16 14 17 10 18 13 19 11 20 12 21 +REMARK H PARENT 19 10 1 12 +COMPND /tmp/tmpvv57cgh6/57988429_s139171_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 C UNL A 1 22.344 16.725 -7.548 1.00 0.00 C +ATOM 2 C UNL A 1 22.684 17.811 -6.771 1.00 0.00 C +ATOM 3 C UNL A 1 23.977 18.244 -7.176 1.00 0.00 C +ATOM 4 C UNL A 1 24.838 19.290 -6.777 1.00 0.00 C +ATOM 5 C UNL A 1 26.098 19.490 -7.381 1.00 0.00 C +ATOM 6 C UNL A 1 26.458 18.582 -8.390 1.00 0.00 C +ATOM 7 C UNL A 1 25.629 17.532 -8.820 1.00 0.00 C +ATOM 8 C UNL A 1 24.393 17.395 -8.195 1.00 0.00 C +ATOM 9 N UNL A 1 23.384 16.485 -8.404 1.00 0.00 N +ATOM 10 H UNL A 1 23.391 15.745 -9.089 1.00 0.00 H +ATOM 11 O UNL A 1 21.268 15.955 -7.590 1.00 0.00 O +ATOM 12 H UNL A 1 21.496 15.173 -8.123 1.00 0.00 H +ATOM 13 N UNL A 1 26.912 20.564 -6.989 1.00 0.00 N +ATOM 14 C UNL A 1 27.256 20.647 -5.537 1.00 0.00 C +ATOM 15 C UNL A 1 27.855 21.196 -7.932 1.00 0.00 C +ATOM 16 C UNL A 1 28.303 21.721 -5.216 1.00 0.00 C +ATOM 17 C UNL A 1 29.245 21.197 -7.419 1.00 0.00 C +ATOM 18 N UNL A 1 29.425 21.528 -6.110 1.00 0.00 N +ATOM 19 C UNL A 1 30.490 20.865 -7.896 1.00 0.00 C +ATOM 20 N UNL A 1 30.699 21.482 -5.699 1.00 0.00 N +ATOM 21 C UNL A 1 31.350 21.064 -6.793 1.00 0.00 C +CONECT 1 9 11 2 2 +CONECT 2 1 1 3 +CONECT 3 8 8 4 2 +CONECT 4 5 5 3 +CONECT 5 6 13 4 4 +CONECT 6 7 7 5 +CONECT 7 6 6 8 +CONECT 8 7 9 3 3 +CONECT 9 10 8 1 +CONECT 10 9 +CONECT 11 12 1 +CONECT 12 11 +CONECT 13 15 5 14 +CONECT 14 13 16 +CONECT 15 17 13 +CONECT 16 18 14 +CONECT 17 15 19 19 18 +CONECT 18 17 20 16 +CONECT 19 17 17 21 +CONECT 20 21 21 18 +CONECT 21 19 20 20 +MASTER 0 0 0 0 0 0 0 0 21 0 21 0 +END diff --git a/s139172_cmpx.pdb b/s139172_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..9384cd50b8ba86c74be9b0353249ef8e0d215c8f --- /dev/null +++ b/s139172_cmpx.pdb @@ -0,0 +1,1610 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.7 0.000 0.000 +REMARK CORE N12CCNCC1=CC=N2 +REMARK SMILES Oc1cc2cc(-c3cnn4c3CNCC4)ccc2[nH]1 +REMARK SMILES IDX 2 1 3 2 4 3 5 4 6 5 16 6 17 7 18 8 19 9 1 11 7 13 8 14 11 15 +REMARK SMILES IDX 9 16 10 17 12 18 15 19 13 20 14 21 +REMARK H PARENT 19 10 1 12 13 22 +COMPND /tmp/tmp7vg5a1_9/64476541_s139172_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 C UNL A 1 22.552 16.894 -7.688 1.00 0.00 C +ATOM 2 C UNL A 1 22.861 17.991 -6.919 1.00 0.00 C +ATOM 3 C UNL A 1 23.946 18.664 -7.549 1.00 0.00 C +ATOM 4 C UNL A 1 24.742 19.770 -7.198 1.00 0.00 C +ATOM 5 C UNL A 1 25.834 20.127 -8.009 1.00 0.00 C +ATOM 6 C UNL A 1 26.071 19.434 -9.202 1.00 0.00 C +ATOM 7 C UNL A 1 25.261 18.360 -9.594 1.00 0.00 C +ATOM 8 C UNL A 1 24.228 17.980 -8.730 1.00 0.00 C +ATOM 9 N UNL A 1 23.343 16.929 -8.805 1.00 0.00 N +ATOM 10 H UNL A 1 23.319 16.235 -9.535 1.00 0.00 H +ATOM 11 O UNL A 1 21.696 15.898 -7.519 1.00 0.00 O +ATOM 12 H UNL A 1 21.062 16.178 -6.833 1.00 0.00 H +ATOM 13 C UNL A 1 26.778 21.113 -7.522 1.00 0.00 C +ATOM 14 C UNL A 1 27.313 22.232 -8.212 1.00 0.00 C +ATOM 15 C UNL A 1 27.338 21.197 -6.260 1.00 0.00 C +ATOM 16 N UNL A 1 28.124 22.970 -7.452 1.00 0.00 N +ATOM 17 N UNL A 1 28.106 22.327 -6.276 1.00 0.00 N +ATOM 18 C UNL A 1 27.263 20.377 -5.028 1.00 0.00 C +ATOM 19 C UNL A 1 28.931 22.789 -5.177 1.00 0.00 C +ATOM 20 N UNL A 1 28.541 20.429 -4.307 1.00 0.00 N +ATOM 21 C UNL A 1 28.909 21.818 -3.990 1.00 0.00 C +ATOM 22 H UNL A 1 29.255 20.018 -4.912 1.00 0.00 H +CONECT 1 9 11 2 2 +CONECT 2 1 1 3 +CONECT 3 8 8 4 2 +CONECT 4 5 5 3 +CONECT 5 6 13 4 4 +CONECT 6 7 7 5 +CONECT 7 6 6 8 +CONECT 8 7 9 3 3 +CONECT 9 10 8 1 +CONECT 10 9 +CONECT 11 1 12 +CONECT 12 11 +CONECT 13 14 5 15 15 +CONECT 14 13 16 16 +CONECT 15 13 13 17 18 +CONECT 16 14 14 17 +CONECT 17 16 15 19 +CONECT 18 15 20 +CONECT 19 17 21 +CONECT 20 18 22 21 +CONECT 21 19 20 +CONECT 22 20 +MASTER 0 0 0 0 0 0 0 0 22 0 22 0 +END diff --git a/s139173_cmpx.pdb b/s139173_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..f09ff5b57594c6c218f6918ccbc5010859155dd1 --- /dev/null +++ b/s139173_cmpx.pdb @@ -0,0 +1,1610 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.5 0.000 0.000 +REMARK CORE N12CCCNCC1=CC=N2 +REMARK SMILES Oc1cc2cc(N3CCCn4nccc4C3)ccc2[nH]1 +REMARK SMILES IDX 2 1 3 2 4 3 5 4 6 5 17 6 18 7 19 8 20 9 1 11 7 13 8 14 16 15 +REMARK SMILES IDX 9 16 15 17 10 18 11 19 14 20 12 21 13 22 +REMARK H PARENT 20 10 1 12 +COMPND /tmp/tmpue90o_ly/57988434_s139173_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 C UNL A 1 22.346 16.824 -7.468 1.00 0.00 C +ATOM 2 C UNL A 1 22.665 17.981 -6.797 1.00 0.00 C +ATOM 3 C UNL A 1 23.947 18.400 -7.250 1.00 0.00 C +ATOM 4 C UNL A 1 24.792 19.487 -6.930 1.00 0.00 C +ATOM 5 C UNL A 1 26.065 19.671 -7.525 1.00 0.00 C +ATOM 6 C UNL A 1 26.398 18.730 -8.521 1.00 0.00 C +ATOM 7 C UNL A 1 25.587 17.627 -8.865 1.00 0.00 C +ATOM 8 C UNL A 1 24.371 17.486 -8.204 1.00 0.00 C +ATOM 9 N UNL A 1 23.384 16.535 -8.315 1.00 0.00 N +ATOM 10 H UNL A 1 23.406 15.735 -8.929 1.00 0.00 H +ATOM 11 O UNL A 1 21.289 16.028 -7.420 1.00 0.00 O +ATOM 12 H UNL A 1 21.568 15.161 -7.769 1.00 0.00 H +ATOM 13 N UNL A 1 26.923 20.774 -7.171 1.00 0.00 N +ATOM 14 C UNL A 1 28.293 20.698 -7.711 1.00 0.00 C +ATOM 15 C UNL A 1 26.791 21.182 -5.754 1.00 0.00 C +ATOM 16 C UNL A 1 28.998 22.047 -7.769 1.00 0.00 C +ATOM 17 C UNL A 1 27.433 22.400 -5.179 1.00 0.00 C +ATOM 18 C UNL A 1 29.622 22.426 -6.443 1.00 0.00 C +ATOM 19 N UNL A 1 28.665 22.906 -5.477 1.00 0.00 N +ATOM 20 C UNL A 1 26.952 23.205 -4.158 1.00 0.00 C +ATOM 21 N UNL A 1 29.014 23.958 -4.706 1.00 0.00 N +ATOM 22 C UNL A 1 27.964 24.139 -3.907 1.00 0.00 C +CONECT 1 9 11 2 2 +CONECT 2 1 1 3 +CONECT 3 8 8 4 2 +CONECT 4 5 5 3 +CONECT 5 6 13 4 4 +CONECT 6 7 7 5 +CONECT 7 6 6 8 +CONECT 8 7 9 3 3 +CONECT 9 10 8 1 +CONECT 10 9 +CONECT 11 12 1 +CONECT 12 11 +CONECT 13 14 5 15 +CONECT 14 16 13 +CONECT 15 13 17 +CONECT 16 14 18 +CONECT 17 15 19 20 20 +CONECT 18 16 19 +CONECT 19 18 17 21 +CONECT 20 17 17 22 +CONECT 21 19 22 22 +CONECT 22 21 21 20 +MASTER 0 0 0 0 0 0 0 0 22 0 22 0 +END diff --git a/s139174_cmpx.pdb b/s139174_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..eb59d98df4f32f8af2ecb5b7a0882e43b62bd1da --- /dev/null +++ b/s139174_cmpx.pdb @@ -0,0 +1,1612 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.9 0.000 0.000 +REMARK CORE N12CCCNCC1=CC=N2 +REMARK SMILES Oc1cc2cc(-c3cnn4c3CNCCC4)ccc2[nH]1 +REMARK SMILES IDX 2 1 3 2 4 3 5 4 6 5 17 6 18 7 19 8 20 9 1 11 7 13 8 14 11 15 +REMARK SMILES IDX 9 16 10 17 12 18 16 19 13 20 15 21 14 22 +REMARK H PARENT 20 10 1 12 13 23 +COMPND /tmp/tmptqer7h1q/64476550_s139174_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 C UNL A 1 22.439 16.760 -7.535 1.00 0.00 C +ATOM 2 C UNL A 1 22.699 17.961 -6.918 1.00 0.00 C +ATOM 3 C UNL A 1 23.909 18.473 -7.457 1.00 0.00 C +ATOM 4 C UNL A 1 24.663 19.634 -7.228 1.00 0.00 C +ATOM 5 C UNL A 1 25.782 19.908 -8.024 1.00 0.00 C +ATOM 6 C UNL A 1 26.204 18.952 -8.967 1.00 0.00 C +ATOM 7 C UNL A 1 25.513 17.757 -9.170 1.00 0.00 C +ATOM 8 C UNL A 1 24.356 17.557 -8.416 1.00 0.00 C +ATOM 9 N UNL A 1 23.454 16.519 -8.422 1.00 0.00 N +ATOM 10 H UNL A 1 23.512 15.697 -9.003 1.00 0.00 H +ATOM 11 O UNL A 1 21.452 15.889 -7.414 1.00 0.00 O +ATOM 12 H UNL A 1 20.617 16.385 -7.498 1.00 0.00 H +ATOM 13 C UNL A 1 26.495 21.174 -7.945 1.00 0.00 C +ATOM 14 C UNL A 1 26.443 22.260 -8.859 1.00 0.00 C +ATOM 15 C UNL A 1 27.340 21.625 -6.928 1.00 0.00 C +ATOM 16 N UNL A 1 27.070 23.337 -8.413 1.00 0.00 N +ATOM 17 N UNL A 1 27.473 22.967 -7.185 1.00 0.00 N +ATOM 18 C UNL A 1 28.037 20.978 -5.781 1.00 0.00 C +ATOM 19 C UNL A 1 27.766 24.005 -6.215 1.00 0.00 C +ATOM 20 N UNL A 1 27.601 21.355 -4.447 1.00 0.00 N +ATOM 21 C UNL A 1 27.040 23.761 -4.896 1.00 0.00 C +ATOM 22 C UNL A 1 27.774 22.737 -4.039 1.00 0.00 C +ATOM 23 H UNL A 1 26.657 21.020 -4.272 1.00 0.00 H +CONECT 1 9 11 2 2 +CONECT 2 1 1 3 +CONECT 3 8 8 4 2 +CONECT 4 5 5 3 +CONECT 5 6 13 4 4 +CONECT 6 7 7 5 +CONECT 7 6 6 8 +CONECT 8 7 9 3 3 +CONECT 9 10 8 1 +CONECT 10 9 +CONECT 11 1 12 +CONECT 12 11 +CONECT 13 14 5 15 +CONECT 14 16 13 +CONECT 15 13 17 18 +CONECT 16 14 17 +CONECT 17 16 15 19 +CONECT 18 15 20 +CONECT 19 17 21 +CONECT 20 18 23 22 +CONECT 21 19 22 +CONECT 22 21 20 +CONECT 23 20 +MASTER 0 0 0 0 0 0 0 0 23 0 23 0 +END diff --git a/s139182_cmpx.pdb b/s139182_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..552614e84c6a3bb42e51d954f26eb795f3da04dd --- /dev/null +++ b/s139182_cmpx.pdb @@ -0,0 +1,1604 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.5 0.000 0.000 +REMARK CORE O=C1CCCN1 +REMARK SMILES O=C1C[C@@H](c2ccc3[nH]c(O)cc3c2)CN1 +REMARK SMILES IDX 5 1 6 2 7 3 8 4 9 5 10 6 12 7 13 8 14 9 4 11 2 12 3 13 16 14 +REMARK SMILES IDX 15 15 1 16 11 18 +REMARK H PARENT 9 10 16 17 11 19 +COMPND /tmp/tmpx_nzu8vf/57988521_s139182_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 C UNL A 1 25.782 20.145 -7.740 1.00 0.00 C +ATOM 2 C UNL A 1 26.127 19.431 -8.899 1.00 0.00 C +ATOM 3 C UNL A 1 25.389 18.330 -9.343 1.00 0.00 C +ATOM 4 C UNL A 1 24.291 17.943 -8.573 1.00 0.00 C +ATOM 5 N UNL A 1 23.430 16.880 -8.728 1.00 0.00 N +ATOM 6 C UNL A 1 22.543 16.836 -7.684 1.00 0.00 C +ATOM 7 C UNL A 1 22.748 17.960 -6.920 1.00 0.00 C +ATOM 8 C UNL A 1 23.887 18.636 -7.435 1.00 0.00 C +ATOM 9 C UNL A 1 24.632 19.761 -7.024 1.00 0.00 C +ATOM 10 H UNL A 1 23.480 16.220 -9.489 1.00 0.00 H +ATOM 11 C UNL A 1 26.630 21.298 -7.215 1.00 0.00 C +ATOM 12 C UNL A 1 27.556 20.743 -5.093 1.00 0.00 C +ATOM 13 C UNL A 1 27.933 20.835 -6.550 1.00 0.00 C +ATOM 14 N UNL A 1 26.417 21.491 -4.891 1.00 0.00 N +ATOM 15 C UNL A 1 25.932 22.088 -6.102 1.00 0.00 C +ATOM 16 O UNL A 1 28.160 20.136 -4.222 1.00 0.00 O +ATOM 17 H UNL A 1 25.996 21.576 -3.973 1.00 0.00 H +ATOM 18 O UNL A 1 21.676 15.844 -7.525 1.00 0.00 O +ATOM 19 H UNL A 1 21.711 15.256 -8.299 1.00 0.00 H +CONECT 1 2 2 11 9 +CONECT 2 3 1 1 +CONECT 3 2 4 4 +CONECT 4 3 3 5 8 +CONECT 5 10 4 6 +CONECT 6 5 18 7 7 +CONECT 7 6 6 8 +CONECT 8 4 9 9 7 +CONECT 9 1 8 8 +CONECT 10 5 +CONECT 11 1 13 15 +CONECT 12 13 14 16 16 +CONECT 13 11 12 +CONECT 14 15 12 17 +CONECT 15 11 14 +CONECT 16 12 12 +CONECT 17 14 +CONECT 18 19 6 +CONECT 19 18 +MASTER 0 0 0 0 0 0 0 0 19 0 19 0 +END diff --git a/s140717_cmpx.pdb b/s140717_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..e43325751a771d861fd6dc0067e05825dd44c002 --- /dev/null +++ b/s140717_cmpx.pdb @@ -0,0 +1,1614 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -9.0 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(-c3ccn4c3C(=O)NCC4)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 19 9 20 10 21 11 22 12 9 14 +REMARK SMILES IDX 10 15 13 16 11 17 12 18 14 19 18 20 16 21 17 22 15 23 +REMARK H PARENT 22 13 16 24 +COMPND /tmp/tmp4jncmir5/65538860_s140717_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.564 16.070 -7.615 1.00 0.00 O +ATOM 2 C UNL A 1 22.612 16.721 -7.654 1.00 0.00 C +ATOM 3 C UNL A 1 22.786 18.014 -6.839 1.00 0.00 C +ATOM 4 O UNL A 1 24.066 18.398 -6.361 1.00 0.00 O +ATOM 5 C UNL A 1 24.832 18.906 -7.374 1.00 0.00 C +ATOM 6 C UNL A 1 25.165 20.255 -7.349 1.00 0.00 C +ATOM 7 C UNL A 1 25.966 20.793 -8.363 1.00 0.00 C +ATOM 8 C UNL A 1 26.490 19.978 -9.373 1.00 0.00 C +ATOM 9 C UNL A 1 26.152 18.612 -9.364 1.00 0.00 C +ATOM 10 C UNL A 1 25.319 18.066 -8.373 1.00 0.00 C +ATOM 11 C UNL A 1 24.994 16.605 -8.346 1.00 0.00 C +ATOM 12 N UNL A 1 23.588 16.333 -8.528 1.00 0.00 N +ATOM 13 H UNL A 1 23.348 15.467 -8.992 1.00 0.00 H +ATOM 14 C UNL A 1 27.326 20.496 -10.460 1.00 0.00 C +ATOM 15 C UNL A 1 26.846 20.986 -11.720 1.00 0.00 C +ATOM 16 C UNL A 1 28.719 20.593 -10.497 1.00 0.00 C +ATOM 17 C UNL A 1 27.924 21.365 -12.481 1.00 0.00 C +ATOM 18 N UNL A 1 29.036 21.136 -11.732 1.00 0.00 N +ATOM 19 C UNL A 1 29.768 20.234 -9.555 1.00 0.00 C +ATOM 20 C UNL A 1 30.408 21.381 -12.145 1.00 0.00 C +ATOM 21 N UNL A 1 31.029 20.701 -9.873 1.00 0.00 N +ATOM 22 C UNL A 1 31.251 21.681 -10.916 1.00 0.00 C +ATOM 23 O UNL A 1 29.636 19.562 -8.535 1.00 0.00 O +ATOM 24 H UNL A 1 31.714 20.558 -9.141 1.00 0.00 H +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 15 16 16 8 +CONECT 15 17 17 14 +CONECT 16 18 14 14 19 +CONECT 17 18 15 15 +CONECT 18 17 20 16 +CONECT 19 16 21 23 23 +CONECT 20 18 22 +CONECT 21 22 19 24 +CONECT 22 20 21 +CONECT 23 19 19 +CONECT 24 21 +MASTER 0 0 0 0 0 0 0 0 24 0 24 0 +END diff --git a/s1413313_cmpx.pdb b/s1413313_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..08a6bd8724669633b5e9577466b9d4add2a2da18 --- /dev/null +++ b/s1413313_cmpx.pdb @@ -0,0 +1,1612 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -9.2 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(-c3ccc4c(c3)CNC4)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 18 9 19 10 20 11 21 12 9 14 +REMARK SMILES IDX 10 15 14 16 11 17 13 18 12 19 15 20 17 21 16 22 +REMARK H PARENT 21 13 16 23 +COMPND /tmp/tmpjc6tdqu_/65545921_s1413313_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.663 16.094 -7.662 1.00 0.00 O +ATOM 2 C UNL A 1 22.740 16.692 -7.660 1.00 0.00 C +ATOM 3 C UNL A 1 22.947 17.967 -6.817 1.00 0.00 C +ATOM 4 O UNL A 1 24.243 18.358 -6.380 1.00 0.00 O +ATOM 5 C UNL A 1 24.951 18.887 -7.424 1.00 0.00 C +ATOM 6 C UNL A 1 25.258 20.242 -7.413 1.00 0.00 C +ATOM 7 C UNL A 1 25.930 20.803 -8.503 1.00 0.00 C +ATOM 8 C UNL A 1 26.300 20.023 -9.613 1.00 0.00 C +ATOM 9 C UNL A 1 26.025 18.641 -9.560 1.00 0.00 C +ATOM 10 C UNL A 1 25.374 18.062 -8.463 1.00 0.00 C +ATOM 11 C UNL A 1 25.124 16.589 -8.382 1.00 0.00 C +ATOM 12 N UNL A 1 23.725 16.259 -8.500 1.00 0.00 N +ATOM 13 H UNL A 1 23.485 15.393 -8.966 1.00 0.00 H +ATOM 14 C UNL A 1 26.901 20.621 -10.828 1.00 0.00 C +ATOM 15 C UNL A 1 28.250 20.368 -11.180 1.00 0.00 C +ATOM 16 C UNL A 1 26.123 21.401 -11.706 1.00 0.00 C +ATOM 17 C UNL A 1 28.797 20.815 -12.389 1.00 0.00 C +ATOM 18 C UNL A 1 26.675 21.837 -12.900 1.00 0.00 C +ATOM 19 C UNL A 1 27.986 21.529 -13.248 1.00 0.00 C +ATOM 20 C UNL A 1 26.064 22.657 -13.985 1.00 0.00 C +ATOM 21 C UNL A 1 28.280 22.088 -14.598 1.00 0.00 C +ATOM 22 N UNL A 1 26.959 22.483 -15.157 1.00 0.00 N +ATOM 23 H UNL A 1 26.608 21.670 -15.664 1.00 0.00 H +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 16 16 15 8 +CONECT 15 17 17 14 +CONECT 16 18 14 14 +CONECT 17 19 15 15 +CONECT 18 20 19 19 16 +CONECT 19 21 18 18 17 +CONECT 20 22 18 +CONECT 21 22 19 +CONECT 22 23 21 20 +CONECT 23 22 +MASTER 0 0 0 0 0 0 0 0 23 0 23 0 +END diff --git a/s1436513_cmpx.pdb b/s1436513_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..19b4ff7e63a0ff6cf04ca5f70e754131fb7e6c97 --- /dev/null +++ b/s1436513_cmpx.pdb @@ -0,0 +1,1608 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.5 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(N3CCCCCC3=O)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 17 9 18 10 19 11 20 12 9 14 +REMARK SMILES IDX 10 15 15 16 11 17 14 18 12 19 13 20 16 21 +REMARK H PARENT 20 13 +COMPND /tmp/tmp91cw5i_h/64500988_s1436513_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.734 16.069 -7.764 1.00 0.00 O +ATOM 2 C UNL A 1 22.745 16.769 -7.759 1.00 0.00 C +ATOM 3 C UNL A 1 22.887 17.972 -6.806 1.00 0.00 C +ATOM 4 O UNL A 1 24.159 18.374 -6.315 1.00 0.00 O +ATOM 5 C UNL A 1 24.879 19.020 -7.280 1.00 0.00 C +ATOM 6 C UNL A 1 25.182 20.365 -7.094 1.00 0.00 C +ATOM 7 C UNL A 1 25.925 21.045 -8.061 1.00 0.00 C +ATOM 8 C UNL A 1 26.403 20.369 -9.191 1.00 0.00 C +ATOM 9 C UNL A 1 26.135 19.002 -9.335 1.00 0.00 C +ATOM 10 C UNL A 1 25.366 18.319 -8.384 1.00 0.00 C +ATOM 11 C UNL A 1 25.106 16.850 -8.507 1.00 0.00 C +ATOM 12 N UNL A 1 23.709 16.541 -8.698 1.00 0.00 N +ATOM 13 H UNL A 1 23.500 15.722 -9.256 1.00 0.00 H +ATOM 14 N UNL A 1 27.152 21.063 -10.186 1.00 0.00 N +ATOM 15 C UNL A 1 26.409 21.984 -11.057 1.00 0.00 C +ATOM 16 C UNL A 1 28.517 20.816 -10.327 1.00 0.00 C +ATOM 17 C UNL A 1 26.308 21.462 -12.493 1.00 0.00 C +ATOM 18 C UNL A 1 29.236 21.551 -11.439 1.00 0.00 C +ATOM 19 C UNL A 1 27.551 21.737 -13.334 1.00 0.00 C +ATOM 20 C UNL A 1 28.815 21.061 -12.816 1.00 0.00 C +ATOM 21 O UNL A 1 29.162 20.064 -9.590 1.00 0.00 O +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 15 16 8 +CONECT 15 17 14 +CONECT 16 18 14 21 21 +CONECT 17 19 15 +CONECT 18 20 16 +CONECT 19 20 17 +CONECT 20 19 18 +CONECT 21 16 16 +MASTER 0 0 0 0 0 0 0 0 21 0 21 0 +END diff --git a/s1443416_cmpx.pdb b/s1443416_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..5e1a5b7e7bb243f98a6d93166f31c4eba20562cf --- /dev/null +++ b/s1443416_cmpx.pdb @@ -0,0 +1,1610 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.5 0.000 0.000 +REMARK CORE N12CCNCC1=CC=N2 +REMARK SMILES O=c1[nH]c2cc(Cl)c(-c3cnn4c3CNCC4)cc2o1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 18 9 19 10 20 11 9 13 10 14 +REMARK SMILES IDX 13 15 11 16 12 17 14 18 17 19 15 20 16 21 +REMARK H PARENT 3 12 15 22 +COMPND /tmp/tmprhd_29i3/65578750_s1443416_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.706 16.047 -7.631 1.00 0.00 O +ATOM 2 C UNL A 1 22.664 16.803 -7.629 1.00 0.00 C +ATOM 3 N UNL A 1 22.726 18.002 -6.957 1.00 0.00 N +ATOM 4 C UNL A 1 23.885 18.620 -7.308 1.00 0.00 C +ATOM 5 C UNL A 1 24.354 19.881 -7.033 1.00 0.00 C +ATOM 6 C UNL A 1 25.474 20.315 -7.755 1.00 0.00 C +ATOM 7 Cl UNL A 1 25.976 21.947 -7.462 1.00 0.00 Cl +ATOM 8 C UNL A 1 26.094 19.473 -8.724 1.00 0.00 C +ATOM 9 C UNL A 1 25.676 18.130 -8.826 1.00 0.00 C +ATOM 10 C UNL A 1 24.534 17.755 -8.158 1.00 0.00 C +ATOM 11 O UNL A 1 23.842 16.574 -8.353 1.00 0.00 O +ATOM 12 H UNL A 1 21.952 18.379 -6.430 1.00 0.00 H +ATOM 13 C UNL A 1 26.985 19.984 -9.764 1.00 0.00 C +ATOM 14 C UNL A 1 26.789 20.307 -11.129 1.00 0.00 C +ATOM 15 C UNL A 1 28.361 20.106 -9.592 1.00 0.00 C +ATOM 16 N UNL A 1 27.928 20.609 -11.763 1.00 0.00 N +ATOM 17 N UNL A 1 28.863 20.460 -10.811 1.00 0.00 N +ATOM 18 C UNL A 1 29.285 19.913 -8.441 1.00 0.00 C +ATOM 19 C UNL A 1 30.275 20.492 -11.143 1.00 0.00 C +ATOM 20 N UNL A 1 30.591 19.422 -8.884 1.00 0.00 N +ATOM 21 C UNL A 1 31.153 20.326 -9.896 1.00 0.00 C +ATOM 22 H UNL A 1 30.462 18.491 -9.278 1.00 0.00 H +CONECT 1 2 2 +CONECT 2 11 1 1 3 +CONECT 3 2 4 12 +CONECT 4 10 10 5 3 +CONECT 5 6 6 4 +CONECT 6 8 7 5 5 +CONECT 7 6 +CONECT 8 13 9 9 6 +CONECT 9 8 8 10 +CONECT 10 9 11 4 4 +CONECT 11 10 2 +CONECT 12 3 +CONECT 13 14 15 15 8 +CONECT 14 16 16 13 +CONECT 15 17 13 13 18 +CONECT 16 14 14 17 +CONECT 17 16 19 15 +CONECT 18 15 20 +CONECT 19 17 21 +CONECT 20 21 22 18 +CONECT 21 19 20 +CONECT 22 20 +MASTER 0 0 0 0 0 0 0 0 22 0 22 0 +END diff --git a/s1489411_cmpx.pdb b/s1489411_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..aa22747723ef05721cd7e466a3fa599f05d85fa9 --- /dev/null +++ b/s1489411_cmpx.pdb @@ -0,0 +1,1608 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.5 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(N3CCC4(CCC4)C3)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 17 9 18 10 19 11 20 12 9 14 +REMARK SMILES IDX 10 15 16 16 11 17 12 18 13 19 15 20 14 21 +REMARK H PARENT 20 13 +COMPND /tmp/tmpjmi5miwc/65627033_s1489411_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.708 16.179 -7.812 1.00 0.00 O +ATOM 2 C UNL A 1 22.771 16.795 -7.738 1.00 0.00 C +ATOM 3 C UNL A 1 22.955 17.953 -6.733 1.00 0.00 C +ATOM 4 O UNL A 1 24.241 18.356 -6.291 1.00 0.00 O +ATOM 5 C UNL A 1 24.901 19.020 -7.285 1.00 0.00 C +ATOM 6 C UNL A 1 25.148 20.378 -7.146 1.00 0.00 C +ATOM 7 C UNL A 1 25.842 21.059 -8.153 1.00 0.00 C +ATOM 8 C UNL A 1 26.333 20.406 -9.297 1.00 0.00 C +ATOM 9 C UNL A 1 26.029 19.035 -9.409 1.00 0.00 C +ATOM 10 C UNL A 1 25.353 18.330 -8.403 1.00 0.00 C +ATOM 11 C UNL A 1 25.149 16.849 -8.486 1.00 0.00 C +ATOM 12 N UNL A 1 23.762 16.493 -8.625 1.00 0.00 N +ATOM 13 H UNL A 1 23.535 15.693 -9.204 1.00 0.00 H +ATOM 14 N UNL A 1 27.069 21.065 -10.274 1.00 0.00 N +ATOM 15 C UNL A 1 27.762 20.301 -11.332 1.00 0.00 C +ATOM 16 C UNL A 1 26.607 22.355 -10.810 1.00 0.00 C +ATOM 17 C UNL A 1 27.945 21.297 -12.483 1.00 0.00 C +ATOM 18 C UNL A 1 26.711 22.178 -12.322 1.00 0.00 C +ATOM 19 C UNL A 1 26.510 23.430 -13.218 1.00 0.00 C +ATOM 20 C UNL A 1 25.424 21.608 -13.004 1.00 0.00 C +ATOM 21 C UNL A 1 25.753 22.516 -14.205 1.00 0.00 C +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 15 16 8 +CONECT 15 17 14 +CONECT 16 18 14 +CONECT 17 18 15 +CONECT 18 19 20 17 16 +CONECT 19 21 18 +CONECT 20 21 18 +CONECT 21 19 20 +MASTER 0 0 0 0 0 0 0 0 21 0 21 0 +END diff --git a/s149207_cmpx.pdb b/s149207_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..d28e7fb19d5492e350c4166070b1c398cdb9d4d3 --- /dev/null +++ b/s149207_cmpx.pdb @@ -0,0 +1,1610 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.6 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(N3CCC34CCOCC4)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 18 9 19 10 20 11 21 12 9 14 +REMARK SMILES IDX 10 15 12 16 11 17 13 18 17 19 14 20 16 21 15 22 +REMARK H PARENT 21 13 +COMPND /tmp/tmp93d_lbtz/65629966_s149207_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.655 16.013 -7.766 1.00 0.00 O +ATOM 2 C UNL A 1 22.672 16.712 -7.731 1.00 0.00 C +ATOM 3 C UNL A 1 22.791 17.917 -6.781 1.00 0.00 C +ATOM 4 O UNL A 1 24.048 18.336 -6.274 1.00 0.00 O +ATOM 5 C UNL A 1 24.789 18.970 -7.234 1.00 0.00 C +ATOM 6 C UNL A 1 25.079 20.318 -7.066 1.00 0.00 C +ATOM 7 C UNL A 1 25.888 20.978 -7.998 1.00 0.00 C +ATOM 8 C UNL A 1 26.434 20.284 -9.089 1.00 0.00 C +ATOM 9 C UNL A 1 26.149 18.918 -9.220 1.00 0.00 C +ATOM 10 C UNL A 1 25.326 18.247 -8.301 1.00 0.00 C +ATOM 11 C UNL A 1 25.064 16.778 -8.416 1.00 0.00 C +ATOM 12 N UNL A 1 23.670 16.461 -8.629 1.00 0.00 N +ATOM 13 H UNL A 1 23.474 15.637 -9.183 1.00 0.00 H +ATOM 14 N UNL A 1 27.244 20.909 -10.067 1.00 0.00 N +ATOM 15 C UNL A 1 27.174 22.298 -10.447 1.00 0.00 C +ATOM 16 C UNL A 1 28.708 20.898 -10.088 1.00 0.00 C +ATOM 17 C UNL A 1 28.654 22.441 -10.126 1.00 0.00 C +ATOM 18 C UNL A 1 29.393 20.314 -8.851 1.00 0.00 C +ATOM 19 C UNL A 1 29.205 20.208 -11.364 1.00 0.00 C +ATOM 20 C UNL A 1 30.904 20.411 -9.053 1.00 0.00 C +ATOM 21 C UNL A 1 30.727 20.272 -11.409 1.00 0.00 C +ATOM 22 O UNL A 1 31.292 19.696 -10.229 1.00 0.00 O +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 15 16 8 +CONECT 15 17 14 +CONECT 16 19 17 14 18 +CONECT 17 15 16 +CONECT 18 16 20 +CONECT 19 21 16 +CONECT 20 22 18 +CONECT 21 19 22 +CONECT 22 21 20 +MASTER 0 0 0 0 0 0 0 0 22 0 22 0 +END diff --git a/s1502089_cmpx.pdb b/s1502089_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..5cf852aa690e20375a655623732725a4d57246a8 --- /dev/null +++ b/s1502089_cmpx.pdb @@ -0,0 +1,1604 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.5 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=c1ccc(N2CCOc3ccccc3C2)n[nH]1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 17 6 18 7 6 9 7 10 16 11 8 12 15 13 9 14 +REMARK SMILES IDX 10 15 14 16 11 17 13 18 12 19 +REMARK H PARENT 18 8 +COMPND /tmp/tmpr7fop8ti/65640489_s1502089_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.581 15.943 -7.714 1.00 0.00 O +ATOM 2 C UNL A 1 22.588 16.639 -7.674 1.00 0.00 C +ATOM 3 C UNL A 1 22.606 17.889 -6.899 1.00 0.00 C +ATOM 4 C UNL A 1 23.727 18.608 -6.828 1.00 0.00 C +ATOM 5 C UNL A 1 24.948 18.133 -7.548 1.00 0.00 C +ATOM 6 N UNL A 1 24.908 17.048 -8.282 1.00 0.00 N +ATOM 7 N UNL A 1 23.746 16.335 -8.333 1.00 0.00 N +ATOM 8 H UNL A 1 23.768 15.474 -8.866 1.00 0.00 H +ATOM 9 N UNL A 1 26.145 18.831 -7.451 1.00 0.00 N +ATOM 10 C UNL A 1 26.524 19.662 -6.307 1.00 0.00 C +ATOM 11 C UNL A 1 27.060 18.908 -8.592 1.00 0.00 C +ATOM 12 C UNL A 1 26.356 21.151 -6.609 1.00 0.00 C +ATOM 13 C UNL A 1 26.790 20.159 -9.394 1.00 0.00 C +ATOM 14 O UNL A 1 27.346 21.618 -7.537 1.00 0.00 O +ATOM 15 C UNL A 1 26.936 21.435 -8.833 1.00 0.00 C +ATOM 16 C UNL A 1 26.403 20.065 -10.741 1.00 0.00 C +ATOM 17 C UNL A 1 26.725 22.587 -9.593 1.00 0.00 C +ATOM 18 C UNL A 1 26.175 21.216 -11.498 1.00 0.00 C +ATOM 19 C UNL A 1 26.333 22.477 -10.925 1.00 0.00 C +CONECT 1 2 2 +CONECT 2 7 1 1 3 +CONECT 3 2 4 4 +CONECT 4 5 3 3 +CONECT 5 6 6 9 4 +CONECT 6 7 5 5 +CONECT 7 8 6 2 +CONECT 8 7 +CONECT 9 11 5 10 +CONECT 10 9 12 +CONECT 11 13 9 +CONECT 12 14 10 +CONECT 13 16 16 15 11 +CONECT 14 15 12 +CONECT 15 17 17 13 14 +CONECT 16 18 13 13 +CONECT 17 19 15 15 +CONECT 18 19 19 16 +CONECT 19 18 18 17 +MASTER 0 0 0 0 0 0 0 0 19 0 19 0 +END diff --git a/s152173_cmpx.pdb b/s152173_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..f93dca8eaf128c4533ba2843bbff29455e94b85f --- /dev/null +++ b/s152173_cmpx.pdb @@ -0,0 +1,1612 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.7 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(C3(c4ccccn4)COC3)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 19 9 20 10 21 11 22 12 9 14 +REMARK SMILES IDX 16 15 18 16 17 17 10 18 11 19 15 20 12 21 14 22 13 23 +REMARK H PARENT 22 13 +COMPND /tmp/tmpbcbgep3y/58057499_s152173_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.761 16.093 -7.761 1.00 0.00 O +ATOM 2 C UNL A 1 22.808 16.743 -7.724 1.00 0.00 C +ATOM 3 C UNL A 1 22.992 17.903 -6.726 1.00 0.00 C +ATOM 4 O UNL A 1 24.283 18.319 -6.304 1.00 0.00 O +ATOM 5 C UNL A 1 24.919 19.000 -7.305 1.00 0.00 C +ATOM 6 C UNL A 1 25.173 20.352 -7.137 1.00 0.00 C +ATOM 7 C UNL A 1 25.837 21.059 -8.143 1.00 0.00 C +ATOM 8 C UNL A 1 26.274 20.431 -9.330 1.00 0.00 C +ATOM 9 C UNL A 1 26.024 19.046 -9.438 1.00 0.00 C +ATOM 10 C UNL A 1 25.361 18.321 -8.438 1.00 0.00 C +ATOM 11 C UNL A 1 25.160 16.842 -8.540 1.00 0.00 C +ATOM 12 N UNL A 1 23.769 16.480 -8.656 1.00 0.00 N +ATOM 13 H UNL A 1 23.542 15.678 -9.230 1.00 0.00 H +ATOM 14 C UNL A 1 27.082 21.222 -10.491 1.00 0.00 C +ATOM 15 C UNL A 1 26.826 22.752 -10.629 1.00 0.00 C +ATOM 16 C UNL A 1 26.434 21.194 -11.911 1.00 0.00 C +ATOM 17 O UNL A 1 26.479 22.635 -12.025 1.00 0.00 O +ATOM 18 C UNL A 1 28.611 20.776 -10.371 1.00 0.00 C +ATOM 19 C UNL A 1 29.198 20.287 -9.200 1.00 0.00 C +ATOM 20 N UNL A 1 29.322 20.844 -11.528 1.00 0.00 N +ATOM 21 C UNL A 1 30.524 19.861 -9.212 1.00 0.00 C +ATOM 22 C UNL A 1 30.613 20.444 -11.510 1.00 0.00 C +ATOM 23 C UNL A 1 31.251 19.944 -10.390 1.00 0.00 C +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 16 15 18 8 +CONECT 15 17 14 +CONECT 16 17 14 +CONECT 17 16 15 +CONECT 18 20 20 14 19 +CONECT 19 18 21 21 +CONECT 20 22 18 18 +CONECT 21 23 19 19 +CONECT 22 20 23 23 +CONECT 23 22 22 21 +MASTER 0 0 0 0 0 0 0 0 23 0 23 0 +END diff --git a/s1534821_cmpx.pdb b/s1534821_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..95d66202e9f036ca81b0fa2d97a51814f9b9a4f5 --- /dev/null +++ b/s1534821_cmpx.pdb @@ -0,0 +1,1612 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.8 0.000 0.000 +REMARK CORE O=C1CCCN1 +REMARK SMILES O=C1C[C@@H](Cc2nnc3ncc(-c4ccccc4)nn23)CN1 +REMARK SMILES IDX 5 1 4 2 2 3 3 4 22 5 21 6 1 7 6 9 7 10 20 11 8 12 9 13 19 14 +REMARK SMILES IDX 10 15 12 16 11 17 13 18 14 19 18 20 15 21 17 22 16 23 +REMARK H PARENT 22 8 +COMPND /tmp/tmpoxbxk8lz/65676053_s1534821_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 C UNL A 1 25.476 18.095 -6.710 1.00 0.00 C +ATOM 2 C UNL A 1 24.263 18.643 -7.486 1.00 0.00 C +ATOM 3 C UNL A 1 22.719 16.839 -7.726 1.00 0.00 C +ATOM 4 C UNL A 1 22.910 18.127 -6.964 1.00 0.00 C +ATOM 5 N UNL A 1 23.580 16.857 -8.804 1.00 0.00 N +ATOM 6 C UNL A 1 24.276 18.102 -8.916 1.00 0.00 C +ATOM 7 O UNL A 1 21.913 15.959 -7.487 1.00 0.00 O +ATOM 8 H UNL A 1 23.529 16.127 -9.508 1.00 0.00 H +ATOM 9 C UNL A 1 26.445 19.150 -6.308 1.00 0.00 C +ATOM 10 N UNL A 1 27.165 19.175 -5.206 1.00 0.00 N +ATOM 11 N UNL A 1 26.782 20.226 -7.091 1.00 0.00 N +ATOM 12 N UNL A 1 27.986 20.279 -5.258 1.00 0.00 N +ATOM 13 C UNL A 1 27.771 20.906 -6.396 1.00 0.00 C +ATOM 14 N UNL A 1 26.293 20.537 -8.326 1.00 0.00 N +ATOM 15 N UNL A 1 28.356 22.024 -6.906 1.00 0.00 N +ATOM 16 C UNL A 1 26.888 21.573 -8.852 1.00 0.00 C +ATOM 17 C UNL A 1 27.939 22.359 -8.087 1.00 0.00 C +ATOM 18 C UNL A 1 26.545 21.992 -10.230 1.00 0.00 C +ATOM 19 C UNL A 1 26.288 21.045 -11.227 1.00 0.00 C +ATOM 20 C UNL A 1 26.402 23.357 -10.507 1.00 0.00 C +ATOM 21 C UNL A 1 25.892 21.466 -12.498 1.00 0.00 C +ATOM 22 C UNL A 1 26.011 23.772 -11.780 1.00 0.00 C +ATOM 23 C UNL A 1 25.755 22.827 -12.773 1.00 0.00 C +CONECT 1 2 9 +CONECT 2 6 4 1 +CONECT 3 5 7 7 4 +CONECT 4 3 2 +CONECT 5 8 6 3 +CONECT 6 5 2 +CONECT 7 3 3 +CONECT 8 5 +CONECT 9 11 1 10 10 +CONECT 10 9 9 12 +CONECT 11 14 13 9 +CONECT 12 13 13 10 +CONECT 13 11 15 12 12 +CONECT 14 16 16 11 +CONECT 15 17 17 13 +CONECT 16 18 14 14 17 +CONECT 17 16 15 15 +CONECT 18 19 19 20 16 +CONECT 19 21 18 18 +CONECT 20 22 22 18 +CONECT 21 23 23 19 +CONECT 22 23 20 20 +CONECT 23 21 21 22 +MASTER 0 0 0 0 0 0 0 0 23 0 23 0 +END diff --git a/s1535376_cmpx.pdb b/s1535376_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..473e79abfeb0d44488cf3a882c6654b7602ffa53 --- /dev/null +++ b/s1535376_cmpx.pdb @@ -0,0 +1,1610 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -9.0 0.000 0.000 +REMARK CORE N12CCNCC1=CC=N2 +REMARK SMILES Oc1cc2ccc(-c3cnn4c3CNCC4)cc2[nH]1 +REMARK SMILES IDX 2 1 3 2 4 3 5 4 6 5 7 6 17 7 18 8 19 9 1 11 8 13 9 14 12 15 +REMARK SMILES IDX 10 16 11 17 13 18 16 19 14 20 15 21 +REMARK H PARENT 19 10 1 12 14 22 +COMPND /tmp/tmpps7k2i11/64553392_s1535376_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 C UNL A 1 22.462 16.833 -7.635 1.00 0.00 C +ATOM 2 C UNL A 1 22.734 17.916 -6.830 1.00 0.00 C +ATOM 3 C UNL A 1 23.828 18.620 -7.409 1.00 0.00 C +ATOM 4 C UNL A 1 24.529 19.790 -7.066 1.00 0.00 C +ATOM 5 C UNL A 1 25.569 20.233 -7.895 1.00 0.00 C +ATOM 6 C UNL A 1 25.944 19.526 -9.045 1.00 0.00 C +ATOM 7 C UNL A 1 25.253 18.351 -9.390 1.00 0.00 C +ATOM 8 C UNL A 1 24.202 17.929 -8.562 1.00 0.00 C +ATOM 9 N UNL A 1 23.356 16.848 -8.669 1.00 0.00 N +ATOM 10 H UNL A 1 23.375 16.161 -9.411 1.00 0.00 H +ATOM 11 O UNL A 1 21.549 15.878 -7.567 1.00 0.00 O +ATOM 12 H UNL A 1 20.850 16.101 -8.208 1.00 0.00 H +ATOM 13 C UNL A 1 27.000 20.020 -9.918 1.00 0.00 C +ATOM 14 C UNL A 1 26.908 20.497 -11.252 1.00 0.00 C +ATOM 15 C UNL A 1 28.350 20.119 -9.622 1.00 0.00 C +ATOM 16 N UNL A 1 28.082 20.899 -11.745 1.00 0.00 N +ATOM 17 N UNL A 1 28.929 20.687 -10.726 1.00 0.00 N +ATOM 18 C UNL A 1 29.184 19.771 -8.443 1.00 0.00 C +ATOM 19 C UNL A 1 30.346 20.952 -10.879 1.00 0.00 C +ATOM 20 N UNL A 1 30.580 19.525 -8.827 1.00 0.00 N +ATOM 21 C UNL A 1 31.108 20.673 -9.581 1.00 0.00 C +ATOM 22 H UNL A 1 30.603 18.689 -9.412 1.00 0.00 H +CONECT 1 9 11 2 2 +CONECT 2 1 1 3 +CONECT 3 8 8 4 2 +CONECT 4 5 5 3 +CONECT 5 6 4 4 +CONECT 6 13 7 7 5 +CONECT 7 6 6 8 +CONECT 8 7 9 3 3 +CONECT 9 10 8 1 +CONECT 10 9 +CONECT 11 12 1 +CONECT 12 11 +CONECT 13 14 15 15 6 +CONECT 14 16 16 13 +CONECT 15 17 13 13 18 +CONECT 16 14 14 17 +CONECT 17 16 19 15 +CONECT 18 15 20 +CONECT 19 17 21 +CONECT 20 21 22 18 +CONECT 21 19 20 +CONECT 22 20 +MASTER 0 0 0 0 0 0 0 0 22 0 22 0 +END diff --git a/s1535377_cmpx.pdb b/s1535377_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..01a224e82e6cf67ce47b32649a03bbcb522a9ea3 --- /dev/null +++ b/s1535377_cmpx.pdb @@ -0,0 +1,1610 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.7 0.000 0.000 +REMARK CORE N12CCCNCC1=CC=N2 +REMARK SMILES Oc1cc2ccc(N3CCCn4nccc4C3)cc2[nH]1 +REMARK SMILES IDX 2 1 3 2 4 3 5 4 6 5 7 6 18 7 19 8 20 9 1 11 8 13 9 14 17 15 +REMARK SMILES IDX 10 16 16 17 11 18 12 19 15 20 13 21 14 22 +REMARK H PARENT 20 10 1 12 +COMPND /tmp/tmppux8lam0/64553393_s1535377_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 C UNL A 1 22.412 16.821 -7.593 1.00 0.00 C +ATOM 2 C UNL A 1 22.765 17.862 -6.799 1.00 0.00 C +ATOM 3 C UNL A 1 23.829 18.561 -7.436 1.00 0.00 C +ATOM 4 C UNL A 1 24.595 19.698 -7.147 1.00 0.00 C +ATOM 5 C UNL A 1 25.604 20.113 -8.037 1.00 0.00 C +ATOM 6 C UNL A 1 25.927 19.419 -9.226 1.00 0.00 C +ATOM 7 C UNL A 1 25.099 18.312 -9.527 1.00 0.00 C +ATOM 8 C UNL A 1 24.084 17.897 -8.634 1.00 0.00 C +ATOM 9 N UNL A 1 23.204 16.843 -8.708 1.00 0.00 N +ATOM 10 H UNL A 1 23.145 16.180 -9.463 1.00 0.00 H +ATOM 11 O UNL A 1 21.484 15.865 -7.464 1.00 0.00 O +ATOM 12 H UNL A 1 21.932 15.077 -7.107 1.00 0.00 H +ATOM 13 N UNL A 1 27.021 19.841 -10.100 1.00 0.00 N +ATOM 14 C UNL A 1 26.680 21.000 -10.938 1.00 0.00 C +ATOM 15 C UNL A 1 28.280 19.954 -9.342 1.00 0.00 C +ATOM 16 C UNL A 1 27.520 21.214 -12.187 1.00 0.00 C +ATOM 17 C UNL A 1 29.595 20.301 -9.939 1.00 0.00 C +ATOM 18 C UNL A 1 29.014 21.451 -12.145 1.00 0.00 C +ATOM 19 N UNL A 1 29.864 20.929 -11.115 1.00 0.00 N +ATOM 20 C UNL A 1 30.834 20.076 -9.351 1.00 0.00 C +ATOM 21 N UNL A 1 31.192 21.149 -11.300 1.00 0.00 N +ATOM 22 C UNL A 1 31.774 20.619 -10.228 1.00 0.00 C +CONECT 1 9 11 2 2 +CONECT 2 1 1 3 +CONECT 3 8 8 4 2 +CONECT 4 5 5 3 +CONECT 5 6 4 4 +CONECT 6 13 7 7 5 +CONECT 7 6 6 8 +CONECT 8 7 9 3 3 +CONECT 9 10 8 1 +CONECT 10 9 +CONECT 11 1 12 +CONECT 12 11 +CONECT 13 14 15 6 +CONECT 14 16 13 +CONECT 15 13 17 +CONECT 16 18 14 +CONECT 17 19 20 20 15 +CONECT 18 16 19 +CONECT 19 18 21 17 +CONECT 20 22 17 17 +CONECT 21 19 22 22 +CONECT 22 21 21 20 +MASTER 0 0 0 0 0 0 0 0 22 0 22 0 +END diff --git a/s1535378_cmpx.pdb b/s1535378_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..83eca13ce01669c5a2ee3eda3f0ac2e29bc5061c --- /dev/null +++ b/s1535378_cmpx.pdb @@ -0,0 +1,1612 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.7 0.000 0.000 +REMARK CORE N12CCCNCC1=CC=N2 +REMARK SMILES Oc1cc2ccc(-c3cnn4c3CNCCC4)cc2[nH]1 +REMARK SMILES IDX 2 1 3 2 4 3 5 4 6 5 7 6 18 7 19 8 20 9 1 11 8 13 9 14 12 15 +REMARK SMILES IDX 10 16 11 17 13 18 17 19 14 20 16 21 15 22 +REMARK H PARENT 20 10 1 12 14 23 +COMPND /tmp/tmpt694z46j/64553394_s1535378_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 C UNL A 1 22.623 16.910 -7.672 1.00 0.00 C +ATOM 2 C UNL A 1 22.932 17.979 -6.866 1.00 0.00 C +ATOM 3 C UNL A 1 23.969 18.713 -7.508 1.00 0.00 C +ATOM 4 C UNL A 1 24.698 19.863 -7.167 1.00 0.00 C +ATOM 5 C UNL A 1 25.703 20.303 -8.030 1.00 0.00 C +ATOM 6 C UNL A 1 25.994 19.631 -9.232 1.00 0.00 C +ATOM 7 C UNL A 1 25.248 18.505 -9.601 1.00 0.00 C +ATOM 8 C UNL A 1 24.254 18.061 -8.714 1.00 0.00 C +ATOM 9 N UNL A 1 23.408 16.983 -8.790 1.00 0.00 N +ATOM 10 H UNL A 1 23.378 16.316 -9.544 1.00 0.00 H +ATOM 11 O UNL A 1 21.757 15.918 -7.537 1.00 0.00 O +ATOM 12 H UNL A 1 21.404 15.965 -6.630 1.00 0.00 H +ATOM 13 C UNL A 1 27.096 20.129 -10.019 1.00 0.00 C +ATOM 14 C UNL A 1 27.053 20.703 -11.315 1.00 0.00 C +ATOM 15 C UNL A 1 28.408 20.325 -9.599 1.00 0.00 C +ATOM 16 N UNL A 1 28.178 21.344 -11.624 1.00 0.00 N +ATOM 17 N UNL A 1 28.896 21.253 -10.491 1.00 0.00 N +ATOM 18 C UNL A 1 29.240 19.820 -8.475 1.00 0.00 C +ATOM 19 C UNL A 1 29.831 22.320 -10.176 1.00 0.00 C +ATOM 20 N UNL A 1 29.457 20.767 -7.389 1.00 0.00 N +ATOM 21 C UNL A 1 29.625 22.866 -8.765 1.00 0.00 C +ATOM 22 C UNL A 1 30.238 21.951 -7.706 1.00 0.00 C +ATOM 23 H UNL A 1 28.564 21.014 -6.972 1.00 0.00 H +CONECT 1 9 11 2 2 +CONECT 2 1 1 3 +CONECT 3 8 8 4 2 +CONECT 4 5 5 3 +CONECT 5 6 4 4 +CONECT 6 13 7 7 5 +CONECT 7 6 6 8 +CONECT 8 7 9 3 3 +CONECT 9 10 8 1 +CONECT 10 9 +CONECT 11 1 12 +CONECT 12 11 +CONECT 13 14 15 6 +CONECT 14 16 13 +CONECT 15 17 13 18 +CONECT 16 14 17 +CONECT 17 16 19 15 +CONECT 18 15 20 +CONECT 19 17 21 +CONECT 20 18 22 23 +CONECT 21 19 22 +CONECT 22 21 20 +CONECT 23 20 +MASTER 0 0 0 0 0 0 0 0 23 0 23 0 +END diff --git a/s1535385_cmpx.pdb b/s1535385_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..97c3601e821ff1161b661fc08a76c5d3e151b73a --- /dev/null +++ b/s1535385_cmpx.pdb @@ -0,0 +1,1604 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.7 0.000 0.000 +REMARK CORE O=C1CCCN1 +REMARK SMILES O=C1NCC[C@@H]1c1ccc2cc(O)[nH]c2c1 +REMARK SMILES IDX 7 1 8 2 9 3 10 4 11 5 12 6 14 7 15 8 16 9 6 11 2 12 3 13 +REMARK SMILES IDX 4 14 5 15 1 16 13 18 +REMARK H PARENT 14 10 3 17 13 19 +COMPND /tmp/tmp6mnkrtyo/65676584_s1535385_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 C UNL A 1 25.999 19.280 -8.948 1.00 0.00 C +ATOM 2 C UNL A 1 25.554 20.081 -7.885 1.00 0.00 C +ATOM 3 C UNL A 1 24.462 19.704 -7.094 1.00 0.00 C +ATOM 4 C UNL A 1 23.778 18.511 -7.385 1.00 0.00 C +ATOM 5 C UNL A 1 22.622 17.876 -6.850 1.00 0.00 C +ATOM 6 C UNL A 1 22.398 16.734 -7.580 1.00 0.00 C +ATOM 7 N UNL A 1 23.412 16.616 -8.493 1.00 0.00 N +ATOM 8 C UNL A 1 24.242 17.713 -8.430 1.00 0.00 C +ATOM 9 C UNL A 1 25.346 18.063 -9.218 1.00 0.00 C +ATOM 10 H UNL A 1 23.499 15.854 -9.146 1.00 0.00 H +ATOM 11 C UNL A 1 27.106 19.730 -9.879 1.00 0.00 C +ATOM 12 C UNL A 1 28.402 20.193 -9.235 1.00 0.00 C +ATOM 13 N UNL A 1 28.814 21.351 -9.874 1.00 0.00 N +ATOM 14 C UNL A 1 27.994 21.664 -11.001 1.00 0.00 C +ATOM 15 C UNL A 1 26.685 20.967 -10.691 1.00 0.00 C +ATOM 16 O UNL A 1 29.032 19.654 -8.345 1.00 0.00 O +ATOM 17 H UNL A 1 29.719 21.755 -9.665 1.00 0.00 H +ATOM 18 O UNL A 1 21.437 15.822 -7.545 1.00 0.00 O +ATOM 19 H UNL A 1 21.593 15.275 -6.754 1.00 0.00 H +CONECT 1 11 9 9 2 +CONECT 2 1 3 3 +CONECT 3 2 2 4 +CONECT 4 8 8 3 5 +CONECT 5 6 6 4 +CONECT 6 7 18 5 5 +CONECT 7 10 8 6 +CONECT 8 9 7 4 4 +CONECT 9 1 1 8 +CONECT 10 7 +CONECT 11 15 12 1 +CONECT 12 11 13 16 16 +CONECT 13 14 17 12 +CONECT 14 15 13 +CONECT 15 14 11 +CONECT 16 12 12 +CONECT 17 13 +CONECT 18 6 19 +CONECT 19 18 +MASTER 0 0 0 0 0 0 0 0 19 0 19 0 +END diff --git a/s1538874_cmpx.pdb b/s1538874_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..86cdc4ec1837d3f6b58917ebf92e6353cf195ba9 --- /dev/null +++ b/s1538874_cmpx.pdb @@ -0,0 +1,1610 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.5 0.000 0.000 +REMARK CORE N12CCNCC1=CC=N2 +REMARK SMILES O=C1Nc2ccc(-c3cnn4c3CNCC4)cc2C1=O +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 17 8 18 9 19 10 20 11 8 13 9 14 +REMARK SMILES IDX 12 15 10 16 11 17 13 18 16 19 14 20 15 21 +REMARK H PARENT 3 12 14 22 +COMPND /tmp/tmphz0khal4/58066947_s1538874_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.485 15.639 -7.631 1.00 0.00 O +ATOM 2 C UNL A 1 22.420 16.404 -7.704 1.00 0.00 C +ATOM 3 N UNL A 1 23.570 16.280 -8.457 1.00 0.00 N +ATOM 4 C UNL A 1 24.409 17.371 -8.275 1.00 0.00 C +ATOM 5 C UNL A 1 25.636 17.597 -8.856 1.00 0.00 C +ATOM 6 C UNL A 1 26.304 18.785 -8.513 1.00 0.00 C +ATOM 7 C UNL A 1 25.744 19.726 -7.611 1.00 0.00 C +ATOM 8 C UNL A 1 24.483 19.471 -7.053 1.00 0.00 C +ATOM 9 C UNL A 1 23.858 18.290 -7.391 1.00 0.00 C +ATOM 10 C UNL A 1 22.570 17.755 -6.951 1.00 0.00 C +ATOM 11 O UNL A 1 21.803 18.255 -6.162 1.00 0.00 O +ATOM 12 H UNL A 1 23.742 15.486 -9.060 1.00 0.00 H +ATOM 13 C UNL A 1 26.464 20.953 -7.299 1.00 0.00 C +ATOM 14 C UNL A 1 26.657 22.115 -8.090 1.00 0.00 C +ATOM 15 C UNL A 1 27.131 21.238 -6.117 1.00 0.00 C +ATOM 16 N UNL A 1 27.357 23.063 -7.463 1.00 0.00 N +ATOM 17 N UNL A 1 27.602 22.516 -6.262 1.00 0.00 N +ATOM 18 C UNL A 1 27.356 20.495 -4.845 1.00 0.00 C +ATOM 19 C UNL A 1 28.366 23.234 -5.260 1.00 0.00 C +ATOM 20 N UNL A 1 28.435 21.073 -4.037 1.00 0.00 N +ATOM 21 C UNL A 1 28.252 22.528 -3.910 1.00 0.00 C +ATOM 22 H UNL A 1 29.324 20.875 -4.496 1.00 0.00 H +CONECT 1 2 2 +CONECT 2 3 1 1 10 +CONECT 3 12 4 2 +CONECT 4 5 5 3 9 +CONECT 5 6 4 4 +CONECT 6 5 7 7 +CONECT 7 6 6 13 8 +CONECT 8 7 9 9 +CONECT 9 4 8 8 10 +CONECT 10 2 9 11 11 +CONECT 11 10 10 +CONECT 12 3 +CONECT 13 14 7 15 15 +CONECT 14 16 16 13 +CONECT 15 13 13 17 18 +CONECT 16 14 14 17 +CONECT 17 16 15 19 +CONECT 18 15 20 +CONECT 19 17 21 +CONECT 20 18 22 21 +CONECT 21 19 20 +CONECT 22 20 +MASTER 0 0 0 0 0 0 0 0 22 0 22 0 +END diff --git a/s1538876_cmpx.pdb b/s1538876_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..b6c6c57637f7b2277a5a086ef9ba948c12948c99 --- /dev/null +++ b/s1538876_cmpx.pdb @@ -0,0 +1,1612 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.6 0.000 0.000 +REMARK CORE N12CCCNCC1=CC=N2 +REMARK SMILES O=C1Nc2ccc(-c3cnn4c3CNCCC4)cc2C1=O +REMARK SMILES IDX 8 1 9 2 10 3 11 4 12 5 13 6 14 7 15 8 16 9 17 10 7 12 2 13 +REMARK SMILES IDX 3 14 20 15 4 16 19 17 5 18 18 19 6 20 1 21 21 23 +REMARK H PARENT 14 11 3 22 +COMPND /tmp/tmpumo06usr/64555060_s1538876_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 C UNL A 1 26.303 21.257 -7.369 1.00 0.00 C +ATOM 2 C UNL A 1 25.732 22.467 -6.907 1.00 0.00 C +ATOM 3 N UNL A 1 26.631 23.437 -6.748 1.00 0.00 N +ATOM 4 N UNL A 1 27.786 22.860 -7.122 1.00 0.00 N +ATOM 5 C UNL A 1 27.666 21.530 -7.452 1.00 0.00 C +ATOM 6 C UNL A 1 28.829 20.678 -7.845 1.00 0.00 C +ATOM 7 N UNL A 1 30.116 20.896 -7.190 1.00 0.00 N +ATOM 8 C UNL A 1 30.140 21.713 -5.992 1.00 0.00 C +ATOM 9 C UNL A 1 30.124 23.208 -6.306 1.00 0.00 C +ATOM 10 C UNL A 1 28.986 23.665 -7.212 1.00 0.00 C +ATOM 11 H UNL A 1 30.824 21.182 -7.861 1.00 0.00 H +ATOM 12 C UNL A 1 25.646 19.992 -7.677 1.00 0.00 C +ATOM 13 C UNL A 1 22.510 16.488 -7.789 1.00 0.00 C +ATOM 14 N UNL A 1 23.646 16.452 -8.576 1.00 0.00 N +ATOM 15 C UNL A 1 22.621 17.810 -6.974 1.00 0.00 C +ATOM 16 C UNL A 1 24.435 17.578 -8.367 1.00 0.00 C +ATOM 17 C UNL A 1 23.874 18.423 -7.412 1.00 0.00 C +ATOM 18 C UNL A 1 25.622 17.895 -8.982 1.00 0.00 C +ATOM 19 C UNL A 1 24.460 19.613 -7.033 1.00 0.00 C +ATOM 20 C UNL A 1 26.224 19.116 -8.634 1.00 0.00 C +ATOM 21 O UNL A 1 21.608 15.685 -7.737 1.00 0.00 O +ATOM 22 H UNL A 1 23.837 15.702 -9.224 1.00 0.00 H +ATOM 23 O UNL A 1 21.838 18.247 -6.162 1.00 0.00 O +CONECT 1 12 5 5 2 +CONECT 2 1 3 3 +CONECT 3 4 2 2 +CONECT 4 5 10 3 +CONECT 5 6 1 1 4 +CONECT 6 5 7 +CONECT 7 11 6 8 +CONECT 8 7 9 +CONECT 9 10 8 +CONECT 10 4 9 +CONECT 11 7 +CONECT 12 20 20 1 19 +CONECT 13 14 21 21 15 +CONECT 14 22 16 13 +CONECT 15 13 17 23 23 +CONECT 16 18 18 14 17 +CONECT 17 16 19 19 15 +CONECT 18 20 16 16 +CONECT 19 12 17 17 +CONECT 20 18 12 12 +CONECT 21 13 13 +CONECT 22 14 +CONECT 23 15 15 +MASTER 0 0 0 0 0 0 0 0 23 0 23 0 +END diff --git a/s1538883_cmpx.pdb b/s1538883_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..9aed75b0b2033e39059003ed19d806438b277065 --- /dev/null +++ b/s1538883_cmpx.pdb @@ -0,0 +1,1604 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.5 0.000 0.000 +REMARK CORE O=C1CCCN1 +REMARK SMILES O=C1Nc2ccc([C@H]3CCNC3=O)cc2C1=O +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 14 8 15 9 16 10 17 11 8 13 9 14 +REMARK SMILES IDX 12 15 10 16 11 17 13 18 +REMARK H PARENT 3 12 11 19 +COMPND /tmp/tmp1_ql5kll/65679773_s1538883_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.293 15.687 -7.718 1.00 0.00 O +ATOM 2 C UNL A 1 22.284 16.381 -7.710 1.00 0.00 C +ATOM 3 N UNL A 1 23.460 16.198 -8.411 1.00 0.00 N +ATOM 4 C UNL A 1 24.357 17.229 -8.156 1.00 0.00 C +ATOM 5 C UNL A 1 25.617 17.385 -8.687 1.00 0.00 C +ATOM 6 C UNL A 1 26.340 18.522 -8.304 1.00 0.00 C +ATOM 7 C UNL A 1 25.808 19.481 -7.400 1.00 0.00 C +ATOM 8 C UNL A 1 24.522 19.287 -6.866 1.00 0.00 C +ATOM 9 C UNL A 1 23.832 18.159 -7.263 1.00 0.00 C +ATOM 10 C UNL A 1 22.495 17.689 -6.895 1.00 0.00 C +ATOM 11 O UNL A 1 21.730 18.198 -6.107 1.00 0.00 O +ATOM 12 H UNL A 1 23.609 15.422 -9.039 1.00 0.00 H +ATOM 13 C UNL A 1 26.606 20.709 -7.015 1.00 0.00 C +ATOM 14 C UNL A 1 25.783 22.008 -7.041 1.00 0.00 C +ATOM 15 C UNL A 1 27.135 20.686 -5.589 1.00 0.00 C +ATOM 16 C UNL A 1 26.454 22.887 -6.002 1.00 0.00 C +ATOM 17 N UNL A 1 26.978 21.951 -5.056 1.00 0.00 N +ATOM 18 O UNL A 1 27.638 19.747 -4.998 1.00 0.00 O +ATOM 19 H UNL A 1 27.354 22.173 -4.142 1.00 0.00 H +CONECT 1 2 2 +CONECT 2 3 1 1 10 +CONECT 3 12 4 2 +CONECT 4 5 5 3 9 +CONECT 5 6 4 4 +CONECT 6 5 7 7 +CONECT 7 6 6 13 8 +CONECT 8 7 9 9 +CONECT 9 4 10 8 8 +CONECT 10 2 9 11 11 +CONECT 11 10 10 +CONECT 12 3 +CONECT 13 7 14 15 +CONECT 14 13 16 +CONECT 15 13 17 18 18 +CONECT 16 14 17 +CONECT 17 16 15 19 +CONECT 18 15 15 +CONECT 19 17 +MASTER 0 0 0 0 0 0 0 0 19 0 19 0 +END diff --git a/s1542803_cmpx.pdb b/s1542803_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..3b59071847bfa11a1e28f9b589cbc1aadd3f9d2f --- /dev/null +++ b/s1542803_cmpx.pdb @@ -0,0 +1,1606 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.4 0.000 0.000 +REMARK CORE C12=CC=CC=C1C=NC=N2 +REMARK SMILES N#CCC1(c2ncnc3ccccc23)CCC(=O)CC1 +REMARK SMILES IDX 3 1 2 2 1 3 4 4 15 5 20 6 16 7 19 8 17 9 18 10 5 11 6 12 +REMARK SMILES IDX 14 13 7 14 9 15 13 16 8 17 10 18 12 19 11 20 +REMARK H PARENT +COMPND /tmp/tmp90tr2ju_/65683829_s1542803_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 C UNL A 1 25.890 18.094 -6.615 1.00 0.00 C +ATOM 2 C UNL A 1 26.660 18.999 -5.743 1.00 0.00 C +ATOM 3 N UNL A 1 27.317 19.679 -5.076 1.00 0.00 N +ATOM 4 C UNL A 1 24.897 18.790 -7.597 1.00 0.00 C +ATOM 5 C UNL A 1 23.468 19.008 -6.978 1.00 0.00 C +ATOM 6 C UNL A 1 24.666 17.828 -8.799 1.00 0.00 C +ATOM 7 C UNL A 1 22.758 17.744 -6.525 1.00 0.00 C +ATOM 8 C UNL A 1 23.909 16.533 -8.475 1.00 0.00 C +ATOM 9 C UNL A 1 22.668 16.748 -7.648 1.00 0.00 C +ATOM 10 O UNL A 1 21.685 16.020 -7.779 1.00 0.00 O +ATOM 11 C UNL A 1 25.485 20.195 -7.911 1.00 0.00 C +ATOM 12 N UNL A 1 25.099 21.097 -6.971 1.00 0.00 N +ATOM 13 C UNL A 1 26.396 20.580 -8.932 1.00 0.00 C +ATOM 14 C UNL A 1 25.580 22.338 -7.016 1.00 0.00 C +ATOM 15 C UNL A 1 26.821 21.930 -8.861 1.00 0.00 C +ATOM 16 C UNL A 1 26.940 19.803 -9.996 1.00 0.00 C +ATOM 17 N UNL A 1 26.425 22.795 -7.930 1.00 0.00 N +ATOM 18 C UNL A 1 27.721 22.435 -9.787 1.00 0.00 C +ATOM 19 C UNL A 1 27.846 20.334 -10.920 1.00 0.00 C +ATOM 20 C UNL A 1 28.240 21.655 -10.814 1.00 0.00 C +CONECT 1 4 2 +CONECT 2 1 3 3 3 +CONECT 3 2 2 2 +CONECT 4 6 11 5 1 +CONECT 5 4 7 +CONECT 6 8 4 +CONECT 7 9 5 +CONECT 8 6 9 +CONECT 9 8 10 10 7 +CONECT 10 9 9 +CONECT 11 13 13 4 12 +CONECT 12 11 14 14 +CONECT 13 16 15 11 11 +CONECT 14 17 12 12 +CONECT 15 18 13 17 17 +CONECT 16 19 19 13 +CONECT 17 15 15 14 +CONECT 18 20 20 15 +CONECT 19 20 16 16 +CONECT 20 19 18 18 +MASTER 0 0 0 0 0 0 0 0 20 0 20 0 +END diff --git a/s1546276_cmpx.pdb b/s1546276_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..de5fbe61d1763fe05f9da3f8d0ebb960d0c2d4ec --- /dev/null +++ b/s1546276_cmpx.pdb @@ -0,0 +1,1608 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.5 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccccc2CN1Cc1ccc(=O)[nH]c1 +REMARK SMILES IDX 13 1 12 2 2 3 3 4 4 5 11 6 5 7 10 8 6 9 9 10 7 11 8 12 1 13 +REMARK SMILES IDX 14 14 15 15 20 16 16 17 19 18 17 19 18 21 +REMARK H PARENT 19 20 +COMPND /tmp/tmpwb8e203t/58070803_s1546276_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 C UNL A 1 25.317 19.851 -8.078 1.00 0.00 C +ATOM 2 N UNL A 1 26.549 19.477 -8.758 1.00 0.00 N +ATOM 3 C UNL A 1 27.740 19.701 -8.086 1.00 0.00 C +ATOM 4 C UNL A 1 28.944 20.277 -8.872 1.00 0.00 C +ATOM 5 O UNL A 1 29.116 20.177 -10.274 1.00 0.00 O +ATOM 6 C UNL A 1 26.502 19.194 -10.185 1.00 0.00 C +ATOM 7 C UNL A 1 28.160 20.885 -10.951 1.00 0.00 C +ATOM 8 C UNL A 1 26.847 20.412 -10.986 1.00 0.00 C +ATOM 9 C UNL A 1 28.538 22.013 -11.674 1.00 0.00 C +ATOM 10 C UNL A 1 25.896 21.095 -11.750 1.00 0.00 C +ATOM 11 C UNL A 1 27.581 22.696 -12.423 1.00 0.00 C +ATOM 12 C UNL A 1 26.264 22.236 -12.466 1.00 0.00 C +ATOM 13 O UNL A 1 27.811 19.597 -6.857 1.00 0.00 O +ATOM 14 C UNL A 1 24.367 18.695 -7.930 1.00 0.00 C +ATOM 15 C UNL A 1 23.427 18.702 -6.820 1.00 0.00 C +ATOM 16 C UNL A 1 24.282 17.710 -8.839 1.00 0.00 C +ATOM 17 C UNL A 1 22.487 17.753 -6.703 1.00 0.00 C +ATOM 18 N UNL A 1 23.335 16.725 -8.724 1.00 0.00 N +ATOM 19 C UNL A 1 22.401 16.670 -7.713 1.00 0.00 C +ATOM 20 H UNL A 1 23.261 15.999 -9.425 1.00 0.00 H +ATOM 21 O UNL A 1 21.547 15.799 -7.648 1.00 0.00 O +CONECT 1 2 14 +CONECT 2 6 3 1 +CONECT 3 4 2 13 13 +CONECT 4 5 3 +CONECT 5 7 4 +CONECT 6 8 2 +CONECT 7 9 9 8 5 +CONECT 8 10 10 7 6 +CONECT 9 11 7 7 +CONECT 10 12 8 8 +CONECT 11 12 12 9 +CONECT 12 11 11 10 +CONECT 13 3 3 +CONECT 14 16 16 1 15 +CONECT 15 14 17 17 +CONECT 16 18 14 14 +CONECT 17 19 15 15 +CONECT 18 20 16 19 +CONECT 19 18 21 21 17 +CONECT 20 18 +CONECT 21 19 19 +MASTER 0 0 0 0 0 0 0 0 21 0 21 0 +END diff --git a/s1552133_cmpx.pdb b/s1552133_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..e9bf5a377a166bb5eb5e60263e6574a865a46881 --- /dev/null +++ b/s1552133_cmpx.pdb @@ -0,0 +1,1610 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.5 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(C(=O)N3CCCCCC3)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 18 9 19 10 20 11 21 12 9 14 +REMARK SMILES IDX 11 15 12 16 17 17 13 18 16 19 14 20 15 21 10 22 +REMARK H PARENT 21 13 +COMPND /tmp/tmpfr693r98/64562242_s1552133_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.672 16.127 -7.724 1.00 0.00 O +ATOM 2 C UNL A 1 22.745 16.734 -7.694 1.00 0.00 C +ATOM 3 C UNL A 1 22.922 17.990 -6.824 1.00 0.00 C +ATOM 4 O UNL A 1 24.214 18.326 -6.339 1.00 0.00 O +ATOM 5 C UNL A 1 24.951 18.883 -7.345 1.00 0.00 C +ATOM 6 C UNL A 1 25.163 20.252 -7.332 1.00 0.00 C +ATOM 7 C UNL A 1 25.868 20.847 -8.378 1.00 0.00 C +ATOM 8 C UNL A 1 26.465 20.075 -9.382 1.00 0.00 C +ATOM 9 C UNL A 1 26.238 18.682 -9.371 1.00 0.00 C +ATOM 10 C UNL A 1 25.466 18.079 -8.363 1.00 0.00 C +ATOM 11 C UNL A 1 25.159 16.612 -8.352 1.00 0.00 C +ATOM 12 N UNL A 1 23.750 16.334 -8.529 1.00 0.00 N +ATOM 13 H UNL A 1 23.507 15.487 -9.028 1.00 0.00 H +ATOM 14 C UNL A 1 27.222 20.658 -10.542 1.00 0.00 C +ATOM 15 N UNL A 1 28.580 21.026 -10.443 1.00 0.00 N +ATOM 16 C UNL A 1 29.130 21.836 -11.534 1.00 0.00 C +ATOM 17 C UNL A 1 29.469 20.644 -9.346 1.00 0.00 C +ATOM 18 C UNL A 1 29.936 21.017 -12.540 1.00 0.00 C +ATOM 19 C UNL A 1 30.976 20.677 -9.585 1.00 0.00 C +ATOM 20 C UNL A 1 31.357 20.694 -12.085 1.00 0.00 C +ATOM 21 C UNL A 1 31.437 19.882 -10.797 1.00 0.00 C +ATOM 22 O UNL A 1 26.585 20.814 -11.585 1.00 0.00 O +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 22 22 15 8 +CONECT 15 16 14 17 +CONECT 16 18 15 +CONECT 17 15 19 +CONECT 18 20 16 +CONECT 19 21 17 +CONECT 20 18 21 +CONECT 21 20 19 +CONECT 22 14 14 +MASTER 0 0 0 0 0 0 0 0 22 0 22 0 +END diff --git a/s1555006_cmpx.pdb b/s1555006_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..79f214a1a5eba3e16ec643afa654fc51dc147072 --- /dev/null +++ b/s1555006_cmpx.pdb @@ -0,0 +1,1614 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.5 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(C3(c4ncccn4)CNC3)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 19 9 20 10 21 11 22 12 9 14 +REMARK SMILES IDX 16 15 18 16 17 17 10 19 11 20 15 21 12 22 14 23 13 24 +REMARK H PARENT 22 13 17 18 +COMPND /tmp/tmp93d_lbtz/65697219_s1555006_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.743 16.095 -7.756 1.00 0.00 O +ATOM 2 C UNL A 1 22.796 16.735 -7.714 1.00 0.00 C +ATOM 3 C UNL A 1 22.970 17.929 -6.754 1.00 0.00 C +ATOM 4 O UNL A 1 24.251 18.360 -6.320 1.00 0.00 O +ATOM 5 C UNL A 1 24.918 18.992 -7.330 1.00 0.00 C +ATOM 6 C UNL A 1 25.184 20.351 -7.218 1.00 0.00 C +ATOM 7 C UNL A 1 25.881 21.007 -8.239 1.00 0.00 C +ATOM 8 C UNL A 1 26.344 20.326 -9.385 1.00 0.00 C +ATOM 9 C UNL A 1 26.066 18.941 -9.444 1.00 0.00 C +ATOM 10 C UNL A 1 25.380 18.265 -8.423 1.00 0.00 C +ATOM 11 C UNL A 1 25.170 16.784 -8.465 1.00 0.00 C +ATOM 12 N UNL A 1 23.781 16.425 -8.606 1.00 0.00 N +ATOM 13 H UNL A 1 23.562 15.606 -9.159 1.00 0.00 H +ATOM 14 C UNL A 1 27.180 21.068 -10.562 1.00 0.00 C +ATOM 15 C UNL A 1 27.080 22.638 -10.599 1.00 0.00 C +ATOM 16 C UNL A 1 26.454 21.203 -11.950 1.00 0.00 C +ATOM 17 N UNL A 1 26.973 22.586 -12.075 1.00 0.00 N +ATOM 18 H UNL A 1 27.885 22.613 -12.538 1.00 0.00 H +ATOM 19 C UNL A 1 28.669 20.530 -10.575 1.00 0.00 C +ATOM 20 N UNL A 1 29.342 20.555 -11.743 1.00 0.00 N +ATOM 21 N UNL A 1 29.228 20.234 -9.381 1.00 0.00 N +ATOM 22 C UNL A 1 30.660 20.284 -11.685 1.00 0.00 C +ATOM 23 C UNL A 1 30.545 19.959 -9.386 1.00 0.00 C +ATOM 24 C UNL A 1 31.322 19.985 -10.519 1.00 0.00 C +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 16 15 19 8 +CONECT 15 17 14 +CONECT 16 17 14 +CONECT 17 18 16 15 +CONECT 18 17 +CONECT 19 20 20 14 21 +CONECT 20 22 19 19 +CONECT 21 19 23 23 +CONECT 22 20 24 24 +CONECT 23 24 21 21 +CONECT 24 22 22 23 +MASTER 0 0 0 0 0 0 0 0 24 0 24 0 +END diff --git a/s1558751_cmpx.pdb b/s1558751_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..e4f61a1e2ab79d48224fb43ff9b5195974241b75 --- /dev/null +++ b/s1558751_cmpx.pdb @@ -0,0 +1,1612 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -9.1 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(N3CCCc4ccccc43)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 19 9 20 10 21 11 22 12 9 14 +REMARK SMILES IDX 10 15 18 16 11 17 13 18 17 19 12 20 14 21 16 22 15 23 +REMARK H PARENT 22 13 +COMPND /tmp/tmp2i0ecwgu/64565902_s1558751_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.747 16.083 -7.627 1.00 0.00 O +ATOM 2 C UNL A 1 22.743 16.809 -7.691 1.00 0.00 C +ATOM 3 C UNL A 1 22.988 17.911 -6.653 1.00 0.00 C +ATOM 4 O UNL A 1 24.295 18.366 -6.371 1.00 0.00 O +ATOM 5 C UNL A 1 24.801 19.122 -7.394 1.00 0.00 C +ATOM 6 C UNL A 1 25.053 20.466 -7.146 1.00 0.00 C +ATOM 7 C UNL A 1 25.771 21.214 -8.079 1.00 0.00 C +ATOM 8 C UNL A 1 26.299 20.611 -9.228 1.00 0.00 C +ATOM 9 C UNL A 1 25.961 19.273 -9.495 1.00 0.00 C +ATOM 10 C UNL A 1 25.205 18.517 -8.582 1.00 0.00 C +ATOM 11 C UNL A 1 24.967 17.055 -8.806 1.00 0.00 C +ATOM 12 N UNL A 1 23.574 16.675 -8.765 1.00 0.00 N +ATOM 13 H UNL A 1 23.300 15.892 -9.344 1.00 0.00 H +ATOM 14 N UNL A 1 27.272 21.292 -10.000 1.00 0.00 N +ATOM 15 C UNL A 1 26.756 22.051 -11.153 1.00 0.00 C +ATOM 16 C UNL A 1 28.620 20.843 -10.100 1.00 0.00 C +ATOM 17 C UNL A 1 27.181 21.430 -12.475 1.00 0.00 C +ATOM 18 C UNL A 1 29.327 20.884 -11.322 1.00 0.00 C +ATOM 19 C UNL A 1 29.286 20.293 -8.989 1.00 0.00 C +ATOM 20 C UNL A 1 28.698 21.440 -12.569 1.00 0.00 C +ATOM 21 C UNL A 1 30.647 20.399 -11.394 1.00 0.00 C +ATOM 22 C UNL A 1 30.595 19.810 -9.069 1.00 0.00 C +ATOM 23 C UNL A 1 31.275 19.859 -10.276 1.00 0.00 C +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 15 16 8 +CONECT 15 17 14 +CONECT 16 18 18 14 19 +CONECT 17 20 15 +CONECT 18 20 21 16 16 +CONECT 19 16 22 22 +CONECT 20 17 18 +CONECT 21 18 23 23 +CONECT 22 23 19 19 +CONECT 23 21 21 22 +MASTER 0 0 0 0 0 0 0 0 23 0 23 0 +END diff --git a/s155876_cmpx.pdb b/s155876_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..098917dce5e4e496736fd74db743658bf0bd4bdb --- /dev/null +++ b/s155876_cmpx.pdb @@ -0,0 +1,1612 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -9.3 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(N3CCc4cc(F)ccc43)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 19 9 20 10 21 11 22 12 9 14 +REMARK SMILES IDX 10 15 18 16 11 17 12 18 17 19 13 20 16 21 14 22 15 23 +REMARK H PARENT 22 13 +COMPND /tmp/tmpzw43esis/65701285_s155876_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.625 16.057 -7.611 1.00 0.00 O +ATOM 2 C UNL A 1 22.651 16.741 -7.655 1.00 0.00 C +ATOM 3 C UNL A 1 22.870 17.906 -6.678 1.00 0.00 C +ATOM 4 O UNL A 1 24.165 18.380 -6.361 1.00 0.00 O +ATOM 5 C UNL A 1 24.741 19.038 -7.411 1.00 0.00 C +ATOM 6 C UNL A 1 25.021 20.395 -7.261 1.00 0.00 C +ATOM 7 C UNL A 1 25.803 21.053 -8.212 1.00 0.00 C +ATOM 8 C UNL A 1 26.350 20.343 -9.288 1.00 0.00 C +ATOM 9 C UNL A 1 25.999 18.994 -9.458 1.00 0.00 C +ATOM 10 C UNL A 1 25.194 18.327 -8.522 1.00 0.00 C +ATOM 11 C UNL A 1 24.946 16.854 -8.632 1.00 0.00 C +ATOM 12 N UNL A 1 23.547 16.500 -8.654 1.00 0.00 N +ATOM 13 H UNL A 1 23.290 15.689 -9.200 1.00 0.00 H +ATOM 14 N UNL A 1 27.383 20.866 -10.093 1.00 0.00 N +ATOM 15 C UNL A 1 27.026 20.881 -11.536 1.00 0.00 C +ATOM 16 C UNL A 1 28.750 20.475 -10.127 1.00 0.00 C +ATOM 17 C UNL A 1 28.300 21.241 -12.314 1.00 0.00 C +ATOM 18 C UNL A 1 29.329 20.685 -11.390 1.00 0.00 C +ATOM 19 C UNL A 1 29.526 20.021 -9.074 1.00 0.00 C +ATOM 20 C UNL A 1 30.666 20.441 -11.635 1.00 0.00 C +ATOM 21 C UNL A 1 30.883 19.765 -9.306 1.00 0.00 C +ATOM 22 C UNL A 1 31.436 19.973 -10.578 1.00 0.00 C +ATOM 23 F UNL A 1 32.738 19.732 -10.772 1.00 0.00 F +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 15 16 8 +CONECT 15 17 14 +CONECT 16 18 18 14 19 +CONECT 17 15 18 +CONECT 18 17 20 16 16 +CONECT 19 16 21 21 +CONECT 20 18 22 22 +CONECT 21 22 19 19 +CONECT 22 20 20 23 21 +CONECT 23 22 +MASTER 0 0 0 0 0 0 0 0 23 0 23 0 +END diff --git a/s1581215_cmpx.pdb b/s1581215_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..11ea59dc49744ab2a14a6bd5765cf474beede4dc --- /dev/null +++ b/s1581215_cmpx.pdb @@ -0,0 +1,1614 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.8 0.000 0.000 +REMARK CORE N12CCCNCC1=CC=N2 +REMARK SMILES O=c1[nH]c(-c2cc(-c3cnn4c3CNCCC4)ccn2)no1 +REMARK SMILES IDX 5 1 6 2 7 3 18 4 19 5 20 6 4 7 2 8 3 9 22 10 21 11 1 12 8 14 +REMARK SMILES IDX 9 15 12 16 10 17 11 18 13 19 17 20 14 21 16 22 15 23 +REMARK H PARENT 3 13 14 24 +COMPND /tmp/tmpeufn3v_4/65724831_s1581215_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 C UNL A 1 25.052 18.783 -8.443 1.00 0.00 C +ATOM 2 C UNL A 1 25.987 19.422 -7.654 1.00 0.00 C +ATOM 3 C UNL A 1 27.091 19.997 -8.283 1.00 0.00 C +ATOM 4 C UNL A 1 27.204 19.925 -9.668 1.00 0.00 C +ATOM 5 C UNL A 1 26.215 19.249 -10.368 1.00 0.00 C +ATOM 6 N UNL A 1 25.134 18.676 -9.791 1.00 0.00 N +ATOM 7 C UNL A 1 23.875 18.168 -7.803 1.00 0.00 C +ATOM 8 C UNL A 1 22.312 16.730 -7.567 1.00 0.00 C +ATOM 9 N UNL A 1 23.373 17.041 -8.313 1.00 0.00 N +ATOM 10 O UNL A 1 22.178 17.669 -6.570 1.00 0.00 O +ATOM 11 N UNL A 1 23.237 18.612 -6.770 1.00 0.00 N +ATOM 12 O UNL A 1 21.566 15.773 -7.735 1.00 0.00 O +ATOM 13 H UNL A 1 23.708 16.542 -9.117 1.00 0.00 H +ATOM 14 C UNL A 1 28.106 20.567 -7.429 1.00 0.00 C +ATOM 15 C UNL A 1 29.431 20.934 -7.753 1.00 0.00 C +ATOM 16 C UNL A 1 27.883 21.110 -6.172 1.00 0.00 C +ATOM 17 N UNL A 1 29.957 21.756 -6.847 1.00 0.00 N +ATOM 18 N UNL A 1 28.920 21.998 -6.020 1.00 0.00 N +ATOM 19 C UNL A 1 26.821 20.920 -5.150 1.00 0.00 C +ATOM 20 C UNL A 1 28.874 23.274 -5.330 1.00 0.00 C +ATOM 21 N UNL A 1 25.925 22.044 -4.920 1.00 0.00 N +ATOM 22 C UNL A 1 27.496 23.925 -5.380 1.00 0.00 C +ATOM 23 C UNL A 1 26.532 23.264 -4.402 1.00 0.00 C +ATOM 24 H UNL A 1 25.233 21.736 -4.234 1.00 0.00 H +CONECT 1 6 6 7 2 +CONECT 2 1 3 3 +CONECT 3 4 2 2 14 +CONECT 4 5 5 3 +CONECT 5 6 4 4 +CONECT 6 5 1 1 +CONECT 7 1 9 11 11 +CONECT 8 9 12 12 10 +CONECT 9 13 7 8 +CONECT 10 8 11 +CONECT 11 7 7 10 +CONECT 12 8 8 +CONECT 13 9 +CONECT 14 3 15 16 +CONECT 15 14 17 +CONECT 16 14 18 19 +CONECT 17 15 18 +CONECT 18 17 16 20 +CONECT 19 16 21 +CONECT 20 18 22 +CONECT 21 19 23 24 +CONECT 22 20 23 +CONECT 23 22 21 +CONECT 24 21 +MASTER 0 0 0 0 0 0 0 0 24 0 24 0 +END diff --git a/s1610768_cmpx.pdb b/s1610768_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..d77eb8e2b8ce108e4e18cd677d1dd2bc52955a76 --- /dev/null +++ b/s1610768_cmpx.pdb @@ -0,0 +1,1612 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -9.5 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(-c3ccc4c(c3)CCCO4)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 19 9 20 10 21 11 22 12 9 14 +REMARK SMILES IDX 10 15 14 16 11 17 13 18 12 19 15 20 18 21 16 22 17 23 +REMARK H PARENT 22 13 +COMPND /tmp/tmps3n4mrwo/64593119_s1610768_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.717 16.141 -7.715 1.00 0.00 O +ATOM 2 C UNL A 1 22.794 16.743 -7.695 1.00 0.00 C +ATOM 3 C UNL A 1 23.008 17.968 -6.780 1.00 0.00 C +ATOM 4 O UNL A 1 24.299 18.395 -6.368 1.00 0.00 O +ATOM 5 C UNL A 1 24.976 18.962 -7.412 1.00 0.00 C +ATOM 6 C UNL A 1 25.266 20.325 -7.374 1.00 0.00 C +ATOM 7 C UNL A 1 25.941 20.924 -8.449 1.00 0.00 C +ATOM 8 C UNL A 1 26.336 20.160 -9.557 1.00 0.00 C +ATOM 9 C UNL A 1 26.057 18.780 -9.542 1.00 0.00 C +ATOM 10 C UNL A 1 25.402 18.167 -8.470 1.00 0.00 C +ATOM 11 C UNL A 1 25.164 16.691 -8.446 1.00 0.00 C +ATOM 12 N UNL A 1 23.767 16.360 -8.567 1.00 0.00 N +ATOM 13 H UNL A 1 23.526 15.528 -9.089 1.00 0.00 H +ATOM 14 C UNL A 1 26.975 20.738 -10.753 1.00 0.00 C +ATOM 15 C UNL A 1 26.233 21.428 -11.722 1.00 0.00 C +ATOM 16 C UNL A 1 28.328 20.468 -11.028 1.00 0.00 C +ATOM 17 C UNL A 1 26.795 21.727 -12.967 1.00 0.00 C +ATOM 18 C UNL A 1 28.884 20.729 -12.285 1.00 0.00 C +ATOM 19 C UNL A 1 28.100 21.336 -13.265 1.00 0.00 C +ATOM 20 C UNL A 1 30.291 20.319 -12.591 1.00 0.00 C +ATOM 21 O UNL A 1 28.503 21.518 -14.557 1.00 0.00 O +ATOM 22 C UNL A 1 30.365 19.928 -14.054 1.00 0.00 C +ATOM 23 C UNL A 1 29.815 21.064 -14.908 1.00 0.00 C +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 15 15 16 8 +CONECT 15 17 14 14 +CONECT 16 18 18 14 +CONECT 17 19 19 15 +CONECT 18 19 20 16 16 +CONECT 19 21 17 17 18 +CONECT 20 22 18 +CONECT 21 23 19 +CONECT 22 23 20 +CONECT 23 21 22 +MASTER 0 0 0 0 0 0 0 0 23 0 23 0 +END diff --git a/s1613502_cmpx.pdb b/s1613502_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..505cc2c4f1a33a81d3c3d9fd5a45b9d52ffe8f39 --- /dev/null +++ b/s1613502_cmpx.pdb @@ -0,0 +1,1608 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.5 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc([C@@H]3C[C@H]4C[C@@H]3[C@@H]3S[C@H]43)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 17 9 18 10 19 11 20 12 9 14 +REMARK SMILES IDX 10 15 13 16 11 17 12 18 14 19 16 20 15 21 +REMARK H PARENT 20 13 +COMPND /tmp/tmpznj6ab4r/64594728_s1613502_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.930 16.080 -7.767 1.00 0.00 O +ATOM 2 C UNL A 1 22.931 16.801 -7.747 1.00 0.00 C +ATOM 3 C UNL A 1 22.981 18.085 -6.902 1.00 0.00 C +ATOM 4 O UNL A 1 24.207 18.549 -6.352 1.00 0.00 O +ATOM 5 C UNL A 1 24.983 19.135 -7.312 1.00 0.00 C +ATOM 6 C UNL A 1 25.271 20.494 -7.201 1.00 0.00 C +ATOM 7 C UNL A 1 26.090 21.114 -8.150 1.00 0.00 C +ATOM 8 C UNL A 1 26.634 20.382 -9.212 1.00 0.00 C +ATOM 9 C UNL A 1 26.337 19.006 -9.291 1.00 0.00 C +ATOM 10 C UNL A 1 25.537 18.369 -8.335 1.00 0.00 C +ATOM 11 C UNL A 1 25.336 16.886 -8.350 1.00 0.00 C +ATOM 12 N UNL A 1 23.968 16.497 -8.582 1.00 0.00 N +ATOM 13 H UNL A 1 23.818 15.617 -9.058 1.00 0.00 H +ATOM 14 C UNL A 1 27.527 20.969 -10.279 1.00 0.00 C +ATOM 15 C UNL A 1 27.822 22.503 -10.295 1.00 0.00 C +ATOM 16 C UNL A 1 27.068 20.704 -11.748 1.00 0.00 C +ATOM 17 C UNL A 1 27.623 22.867 -11.793 1.00 0.00 C +ATOM 18 C UNL A 1 28.117 21.574 -12.472 1.00 0.00 C +ATOM 19 C UNL A 1 25.744 21.432 -11.993 1.00 0.00 C +ATOM 20 C UNL A 1 26.117 22.872 -12.033 1.00 0.00 C +ATOM 21 S UNL A 1 25.403 22.253 -13.469 1.00 0.00 S +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 16 15 8 +CONECT 15 17 14 +CONECT 16 18 19 14 +CONECT 17 18 20 15 +CONECT 18 17 16 +CONECT 19 21 20 16 +CONECT 20 21 19 17 +CONECT 21 20 19 +MASTER 0 0 0 0 0 0 0 0 21 0 21 0 +END diff --git a/s164442_cmpx.pdb b/s164442_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..0774ca8a5164cc3c758f0a3f357468e7cc54297d --- /dev/null +++ b/s164442_cmpx.pdb @@ -0,0 +1,1614 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.8 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc([C@@H]3NCCc4ccccc43)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 19 9 20 10 21 11 22 12 9 14 +REMARK SMILES IDX 10 15 18 16 11 17 13 18 17 19 12 20 14 21 16 22 15 23 +REMARK H PARENT 22 13 10 24 +COMPND /tmp/tmpxusjd2mc/58123082_s164442_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.457 16.018 -7.532 1.00 0.00 O +ATOM 2 C UNL A 1 22.506 16.665 -7.594 1.00 0.00 C +ATOM 3 C UNL A 1 22.732 17.898 -6.707 1.00 0.00 C +ATOM 4 O UNL A 1 24.036 18.318 -6.353 1.00 0.00 O +ATOM 5 C UNL A 1 24.685 18.885 -7.413 1.00 0.00 C +ATOM 6 C UNL A 1 25.019 20.234 -7.333 1.00 0.00 C +ATOM 7 C UNL A 1 25.838 20.805 -8.308 1.00 0.00 C +ATOM 8 C UNL A 1 26.367 20.020 -9.348 1.00 0.00 C +ATOM 9 C UNL A 1 25.976 18.670 -9.430 1.00 0.00 C +ATOM 10 C UNL A 1 25.134 18.092 -8.468 1.00 0.00 C +ATOM 11 C UNL A 1 24.835 16.626 -8.491 1.00 0.00 C +ATOM 12 N UNL A 1 23.424 16.321 -8.542 1.00 0.00 N +ATOM 13 H UNL A 1 23.155 15.479 -9.033 1.00 0.00 H +ATOM 14 C UNL A 1 27.485 20.589 -10.226 1.00 0.00 C +ATOM 15 N UNL A 1 28.712 20.946 -9.487 1.00 0.00 N +ATOM 16 C UNL A 1 26.957 21.684 -11.148 1.00 0.00 C +ATOM 17 C UNL A 1 28.684 22.312 -8.958 1.00 0.00 C +ATOM 18 C UNL A 1 27.364 23.021 -11.003 1.00 0.00 C +ATOM 19 C UNL A 1 25.982 21.363 -12.113 1.00 0.00 C +ATOM 20 C UNL A 1 28.457 23.380 -10.033 1.00 0.00 C +ATOM 21 C UNL A 1 26.784 24.012 -11.809 1.00 0.00 C +ATOM 22 C UNL A 1 25.404 22.357 -12.900 1.00 0.00 C +ATOM 23 C UNL A 1 25.801 23.679 -12.745 1.00 0.00 C +ATOM 24 H UNL A 1 29.482 20.891 -10.154 1.00 0.00 H +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 16 15 8 +CONECT 15 14 24 17 +CONECT 16 19 19 18 14 +CONECT 17 20 15 +CONECT 18 21 21 16 20 +CONECT 19 22 16 16 +CONECT 20 18 17 +CONECT 21 23 18 18 +CONECT 22 23 23 19 +CONECT 23 22 22 21 +CONECT 24 15 +MASTER 0 0 0 0 0 0 0 0 24 0 24 0 +END diff --git a/s1653792_cmpx.pdb b/s1653792_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..bde7465acd1be4764a2c6cc02cdae29a8fa9f2d8 --- /dev/null +++ b/s1653792_cmpx.pdb @@ -0,0 +1,1614 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.5 0.000 0.000 +REMARK CORE N12CCCNCC1=CC=N2 +REMARK SMILES Oc1cc2cc(NN3CCCn4nccc4C3)ccc2[nH]1 +REMARK SMILES IDX 2 1 3 2 4 3 5 4 6 5 18 6 19 7 20 8 21 9 1 11 7 13 8 15 9 16 +REMARK SMILES IDX 17 17 10 18 16 19 11 20 12 21 15 22 13 23 14 24 +REMARK H PARENT 21 10 1 12 7 14 +COMPND /tmp/tmpktr23lhd/65801775_s1653792_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 C UNL A 1 22.304 16.688 -7.502 1.00 0.00 C +ATOM 2 C UNL A 1 22.611 17.867 -6.865 1.00 0.00 C +ATOM 3 C UNL A 1 23.926 18.259 -7.272 1.00 0.00 C +ATOM 4 C UNL A 1 24.770 19.357 -6.977 1.00 0.00 C +ATOM 5 C UNL A 1 26.038 19.428 -7.572 1.00 0.00 C +ATOM 6 C UNL A 1 26.432 18.428 -8.477 1.00 0.00 C +ATOM 7 C UNL A 1 25.621 17.335 -8.782 1.00 0.00 C +ATOM 8 C UNL A 1 24.373 17.279 -8.162 1.00 0.00 C +ATOM 9 N UNL A 1 23.373 16.341 -8.278 1.00 0.00 N +ATOM 10 H UNL A 1 23.412 15.515 -8.857 1.00 0.00 H +ATOM 11 O UNL A 1 21.234 15.912 -7.482 1.00 0.00 O +ATOM 12 H UNL A 1 21.389 15.220 -6.815 1.00 0.00 H +ATOM 13 N UNL A 1 26.926 20.539 -7.448 1.00 0.00 N +ATOM 14 H UNL A 1 26.592 21.023 -6.605 1.00 0.00 H +ATOM 15 N UNL A 1 28.368 20.399 -7.444 1.00 0.00 N +ATOM 16 C UNL A 1 28.820 20.362 -8.852 1.00 0.00 C +ATOM 17 C UNL A 1 28.839 21.643 -6.781 1.00 0.00 C +ATOM 18 C UNL A 1 30.283 19.947 -9.002 1.00 0.00 C +ATOM 19 C UNL A 1 30.290 21.814 -6.504 1.00 0.00 C +ATOM 20 C UNL A 1 31.276 21.059 -8.722 1.00 0.00 C +ATOM 21 N UNL A 1 31.323 21.551 -7.362 1.00 0.00 N +ATOM 22 C UNL A 1 30.874 22.430 -5.411 1.00 0.00 C +ATOM 23 N UNL A 1 32.518 21.992 -6.904 1.00 0.00 N +ATOM 24 C UNL A 1 32.236 22.534 -5.722 1.00 0.00 C +CONECT 1 9 11 2 2 +CONECT 2 1 1 3 +CONECT 3 8 8 4 2 +CONECT 4 5 5 3 +CONECT 5 6 13 4 4 +CONECT 6 7 7 5 +CONECT 7 6 6 8 +CONECT 8 7 9 3 3 +CONECT 9 10 8 1 +CONECT 10 9 +CONECT 11 1 12 +CONECT 12 11 +CONECT 13 5 15 14 +CONECT 14 13 +CONECT 15 16 13 17 +CONECT 16 18 15 +CONECT 17 15 19 +CONECT 18 16 20 +CONECT 19 21 17 22 22 +CONECT 20 18 21 +CONECT 21 20 23 19 +CONECT 22 19 19 24 +CONECT 23 21 24 24 +CONECT 24 23 23 22 +MASTER 0 0 0 0 0 0 0 0 24 0 24 0 +END diff --git a/s1653793_cmpx.pdb b/s1653793_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..73ae188a28cdd978ccc4748a48e40532f86adc0d --- /dev/null +++ b/s1653793_cmpx.pdb @@ -0,0 +1,1616 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.6 0.000 0.000 +REMARK CORE N12CCCNCC1=CC=N2 +REMARK SMILES Oc1cc2cc(Nc3cnn4c3CNCCC4)ccc2[nH]1 +REMARK SMILES IDX 2 1 3 2 4 3 5 4 6 5 18 6 19 7 20 8 21 9 1 11 7 13 8 15 9 16 +REMARK SMILES IDX 12 17 10 18 11 19 13 20 17 21 14 22 16 23 15 24 +REMARK H PARENT 21 10 1 12 7 14 14 25 +COMPND /tmp/tmpi9608uxt/58127866_s1653793_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 C UNL A 1 22.303 16.704 -7.520 1.00 0.00 C +ATOM 2 C UNL A 1 22.551 17.864 -6.829 1.00 0.00 C +ATOM 3 C UNL A 1 23.735 18.438 -7.371 1.00 0.00 C +ATOM 4 C UNL A 1 24.457 19.612 -7.099 1.00 0.00 C +ATOM 5 C UNL A 1 25.604 19.941 -7.846 1.00 0.00 C +ATOM 6 C UNL A 1 26.032 19.061 -8.845 1.00 0.00 C +ATOM 7 C UNL A 1 25.337 17.873 -9.130 1.00 0.00 C +ATOM 8 C UNL A 1 24.186 17.597 -8.384 1.00 0.00 C +ATOM 9 N UNL A 1 23.300 16.545 -8.445 1.00 0.00 N +ATOM 10 H UNL A 1 23.359 15.767 -9.089 1.00 0.00 H +ATOM 11 O UNL A 1 21.332 15.807 -7.430 1.00 0.00 O +ATOM 12 H UNL A 1 21.750 14.927 -7.462 1.00 0.00 H +ATOM 13 N UNL A 1 26.295 21.173 -7.647 1.00 0.00 N +ATOM 14 H UNL A 1 25.774 21.927 -8.085 1.00 0.00 H +ATOM 15 C UNL A 1 27.643 21.290 -7.547 1.00 0.00 C +ATOM 16 C UNL A 1 28.412 21.245 -6.362 1.00 0.00 C +ATOM 17 C UNL A 1 28.558 21.490 -8.559 1.00 0.00 C +ATOM 18 N UNL A 1 29.719 21.235 -6.613 1.00 0.00 N +ATOM 19 N UNL A 1 29.768 21.231 -7.960 1.00 0.00 N +ATOM 20 C UNL A 1 28.426 21.851 -9.989 1.00 0.00 C +ATOM 21 C UNL A 1 31.004 20.830 -8.599 1.00 0.00 C +ATOM 22 N UNL A 1 28.796 20.782 -10.911 1.00 0.00 N +ATOM 23 C UNL A 1 30.804 19.856 -9.754 1.00 0.00 C +ATOM 24 C UNL A 1 30.234 20.536 -10.994 1.00 0.00 C +ATOM 25 H UNL A 1 28.472 21.051 -11.841 1.00 0.00 H +CONECT 1 9 11 2 2 +CONECT 2 1 1 3 +CONECT 3 8 8 4 2 +CONECT 4 5 5 3 +CONECT 5 6 13 4 4 +CONECT 6 7 7 5 +CONECT 7 6 6 8 +CONECT 8 7 9 3 3 +CONECT 9 10 8 1 +CONECT 10 9 +CONECT 11 1 12 +CONECT 12 11 +CONECT 13 14 5 15 +CONECT 14 13 +CONECT 15 17 17 13 16 +CONECT 16 15 18 +CONECT 17 20 19 15 15 +CONECT 18 19 16 +CONECT 19 21 17 18 +CONECT 20 22 17 +CONECT 21 23 19 +CONECT 22 25 24 20 +CONECT 23 24 21 +CONECT 24 22 23 +CONECT 25 22 +MASTER 0 0 0 0 0 0 0 0 25 0 25 0 +END diff --git a/s1657357_cmpx.pdb b/s1657357_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..7daee92eee0e49c55b4939a50fddd4ea059e5282 --- /dev/null +++ b/s1657357_cmpx.pdb @@ -0,0 +1,1610 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.4 0.000 0.000 +REMARK CORE C1COCCN1 +REMARK SMILES O=C(Nc1ccc2cc(O)[nH]c2c1)N1CCOCC1 +REMARK SMILES IDX 4 1 5 2 6 3 7 4 8 5 9 6 11 7 12 8 13 9 3 11 2 12 14 13 15 14 +REMARK SMILES IDX 19 15 16 16 18 17 17 18 1 19 10 21 +REMARK H PARENT 11 10 3 20 10 22 +COMPND /tmp/tmpkt2h2m0n/65805852_s1657357_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 C UNL A 1 26.114 19.473 -8.959 1.00 0.00 C +ATOM 2 C UNL A 1 25.656 20.241 -7.886 1.00 0.00 C +ATOM 3 C UNL A 1 24.559 19.840 -7.114 1.00 0.00 C +ATOM 4 C UNL A 1 23.889 18.649 -7.435 1.00 0.00 C +ATOM 5 C UNL A 1 22.766 17.970 -6.885 1.00 0.00 C +ATOM 6 C UNL A 1 22.550 16.846 -7.645 1.00 0.00 C +ATOM 7 N UNL A 1 23.519 16.798 -8.610 1.00 0.00 N +ATOM 8 C UNL A 1 24.341 17.900 -8.521 1.00 0.00 C +ATOM 9 C UNL A 1 25.441 18.290 -9.304 1.00 0.00 C +ATOM 10 H UNL A 1 23.595 16.060 -9.293 1.00 0.00 H +ATOM 11 N UNL A 1 27.239 19.840 -9.738 1.00 0.00 N +ATOM 12 C UNL A 1 28.540 19.925 -9.296 1.00 0.00 C +ATOM 13 N UNL A 1 29.447 20.368 -10.249 1.00 0.00 N +ATOM 14 C UNL A 1 30.879 20.276 -9.950 1.00 0.00 C +ATOM 15 C UNL A 1 29.142 21.235 -11.391 1.00 0.00 C +ATOM 16 C UNL A 1 31.498 21.668 -9.825 1.00 0.00 C +ATOM 17 C UNL A 1 29.842 22.595 -11.232 1.00 0.00 C +ATOM 18 O UNL A 1 31.253 22.436 -11.016 1.00 0.00 O +ATOM 19 O UNL A 1 28.921 19.598 -8.172 1.00 0.00 O +ATOM 20 H UNL A 1 27.132 19.753 -10.736 1.00 0.00 H +ATOM 21 O UNL A 1 21.627 15.898 -7.585 1.00 0.00 O +ATOM 22 H UNL A 1 21.082 16.077 -6.798 1.00 0.00 H +CONECT 1 11 9 9 2 +CONECT 2 1 3 3 +CONECT 3 2 2 4 +CONECT 4 8 8 3 5 +CONECT 5 6 6 4 +CONECT 6 7 21 5 5 +CONECT 7 10 8 6 +CONECT 8 9 7 4 4 +CONECT 9 1 1 8 +CONECT 10 7 +CONECT 11 20 12 1 +CONECT 12 13 11 19 19 +CONECT 13 15 14 12 +CONECT 14 13 16 +CONECT 15 17 13 +CONECT 16 18 14 +CONECT 17 15 18 +CONECT 18 17 16 +CONECT 19 12 12 +CONECT 20 11 +CONECT 21 6 22 +CONECT 22 21 +MASTER 0 0 0 0 0 0 0 0 22 0 22 0 +END diff --git a/s1657358_cmpx.pdb b/s1657358_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..4f5d5e7be4b5c3f8ec70c85c9c1d90a5a8c57f69 --- /dev/null +++ b/s1657358_cmpx.pdb @@ -0,0 +1,1616 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.5 0.000 0.000 +REMARK CORE N12CCNCC1=CC=N2 +REMARK SMILES O=C(Nc1ccc2cc(O)[nH]c2c1)N1CCn2nccc2C1 +REMARK SMILES IDX 4 1 5 2 6 3 7 4 8 5 9 6 11 7 12 8 13 9 3 11 2 12 1 13 14 15 +REMARK SMILES IDX 15 16 22 17 16 18 21 19 17 20 20 21 18 22 19 23 10 24 +REMARK H PARENT 11 10 3 14 10 25 +COMPND /tmp/tmpw3p3wfxo/65805853_s1657358_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 C UNL A 1 26.351 19.340 -8.613 1.00 0.00 C +ATOM 2 C UNL A 1 25.748 20.210 -7.708 1.00 0.00 C +ATOM 3 C UNL A 1 24.531 19.878 -7.088 1.00 0.00 C +ATOM 4 C UNL A 1 23.909 18.650 -7.389 1.00 0.00 C +ATOM 5 C UNL A 1 22.694 18.024 -6.990 1.00 0.00 C +ATOM 6 C UNL A 1 22.616 16.815 -7.644 1.00 0.00 C +ATOM 7 N UNL A 1 23.744 16.675 -8.400 1.00 0.00 N +ATOM 8 C UNL A 1 24.543 17.787 -8.279 1.00 0.00 C +ATOM 9 C UNL A 1 25.760 18.096 -8.893 1.00 0.00 C +ATOM 10 H UNL A 1 23.938 15.872 -8.981 1.00 0.00 H +ATOM 11 N UNL A 1 27.536 19.626 -9.324 1.00 0.00 N +ATOM 12 C UNL A 1 28.756 20.034 -8.832 1.00 0.00 C +ATOM 13 O UNL A 1 29.033 20.143 -7.639 1.00 0.00 O +ATOM 14 H UNL A 1 27.413 19.697 -10.316 1.00 0.00 H +ATOM 15 N UNL A 1 29.679 20.371 -9.823 1.00 0.00 N +ATOM 16 C UNL A 1 31.034 19.781 -9.947 1.00 0.00 C +ATOM 17 C UNL A 1 29.229 21.318 -10.853 1.00 0.00 C +ATOM 18 C UNL A 1 31.939 20.470 -10.964 1.00 0.00 C +ATOM 19 C UNL A 1 29.842 20.934 -12.147 1.00 0.00 C +ATOM 20 N UNL A 1 31.168 20.611 -12.180 1.00 0.00 N +ATOM 21 C UNL A 1 29.381 20.726 -13.425 1.00 0.00 C +ATOM 22 N UNL A 1 31.604 20.184 -13.372 1.00 0.00 N +ATOM 23 C UNL A 1 30.509 20.257 -14.136 1.00 0.00 C +ATOM 24 O UNL A 1 21.699 15.860 -7.652 1.00 0.00 O +ATOM 25 H UNL A 1 22.075 15.103 -8.136 1.00 0.00 H +CONECT 1 11 9 9 2 +CONECT 2 1 3 3 +CONECT 3 2 2 4 +CONECT 4 8 8 3 5 +CONECT 5 6 6 4 +CONECT 6 7 24 5 5 +CONECT 7 10 8 6 +CONECT 8 9 7 4 4 +CONECT 9 1 1 8 +CONECT 10 7 +CONECT 11 14 12 1 +CONECT 12 15 11 13 13 +CONECT 13 12 12 +CONECT 14 11 +CONECT 15 17 16 12 +CONECT 16 18 15 +CONECT 17 19 15 +CONECT 18 20 16 +CONECT 19 21 21 20 17 +CONECT 20 22 19 18 +CONECT 21 23 19 19 +CONECT 22 23 23 20 +CONECT 23 21 22 22 +CONECT 24 25 6 +CONECT 25 24 +MASTER 0 0 0 0 0 0 0 0 25 0 25 0 +END diff --git a/s1657364_cmpx.pdb b/s1657364_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..c905db5897874846cdb317db1c1154db8e220ce5 --- /dev/null +++ b/s1657364_cmpx.pdb @@ -0,0 +1,1612 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.5 0.000 0.000 +REMARK CORE O=C1CCCN1 +REMARK SMILES O=C1NCC[C@@H]1C(=O)Nc1ccc2cc(O)[nH]c2c1 +REMARK SMILES IDX 10 1 11 2 12 3 13 4 14 5 15 6 17 7 18 8 19 9 9 11 7 12 8 13 +REMARK SMILES IDX 6 15 2 16 3 17 4 18 5 19 1 20 16 22 +REMARK H PARENT 17 10 9 14 3 21 16 23 +COMPND /tmp/tmpwaeyq_sb/58129786_s1657364_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 C UNL A 1 26.183 19.562 -8.866 1.00 0.00 C +ATOM 2 C UNL A 1 25.671 20.287 -7.787 1.00 0.00 C +ATOM 3 C UNL A 1 24.559 19.838 -7.064 1.00 0.00 C +ATOM 4 C UNL A 1 23.941 18.634 -7.433 1.00 0.00 C +ATOM 5 C UNL A 1 22.815 17.914 -6.944 1.00 0.00 C +ATOM 6 C UNL A 1 22.661 16.801 -7.732 1.00 0.00 C +ATOM 7 N UNL A 1 23.676 16.792 -8.651 1.00 0.00 N +ATOM 8 C UNL A 1 24.456 17.920 -8.515 1.00 0.00 C +ATOM 9 C UNL A 1 25.566 18.362 -9.254 1.00 0.00 C +ATOM 10 H UNL A 1 23.807 16.068 -9.341 1.00 0.00 H +ATOM 11 N UNL A 1 27.304 19.992 -9.613 1.00 0.00 N +ATOM 12 C UNL A 1 28.611 20.076 -9.167 1.00 0.00 C +ATOM 13 O UNL A 1 28.998 19.770 -8.038 1.00 0.00 O +ATOM 14 H UNL A 1 27.148 20.135 -10.612 1.00 0.00 H +ATOM 15 C UNL A 1 29.594 20.673 -10.148 1.00 0.00 C +ATOM 16 C UNL A 1 29.255 20.546 -11.606 1.00 0.00 C +ATOM 17 N UNL A 1 30.403 20.232 -12.300 1.00 0.00 N +ATOM 18 C UNL A 1 31.551 20.162 -11.451 1.00 0.00 C +ATOM 19 C UNL A 1 30.958 19.969 -10.072 1.00 0.00 C +ATOM 20 O UNL A 1 28.156 20.728 -12.110 1.00 0.00 O +ATOM 21 H UNL A 1 30.410 20.185 -13.313 1.00 0.00 H +ATOM 22 O UNL A 1 21.759 15.830 -7.734 1.00 0.00 O +ATOM 23 H UNL A 1 20.888 16.251 -7.856 1.00 0.00 H +CONECT 1 11 9 9 2 +CONECT 2 1 3 3 +CONECT 3 2 2 4 +CONECT 4 8 8 3 5 +CONECT 5 6 6 4 +CONECT 6 7 22 5 5 +CONECT 7 10 8 6 +CONECT 8 9 7 4 4 +CONECT 9 1 1 8 +CONECT 10 7 +CONECT 11 14 12 1 +CONECT 12 15 11 13 13 +CONECT 13 12 12 +CONECT 14 11 +CONECT 15 16 19 12 +CONECT 16 17 20 20 15 +CONECT 17 21 16 18 +CONECT 18 17 19 +CONECT 19 18 15 +CONECT 20 16 16 +CONECT 21 17 +CONECT 22 23 6 +CONECT 23 22 +MASTER 0 0 0 0 0 0 0 0 23 0 23 0 +END diff --git a/s1668778_cmpx.pdb b/s1668778_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..e10965f5c2e1129f4f8abc744b81a8cda05696ac --- /dev/null +++ b/s1668778_cmpx.pdb @@ -0,0 +1,1612 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.6 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=c1[nH]c2cc(N3CCOc4ccccc4C3)cnc2[nH]1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 18 7 19 8 20 9 21 10 7 13 8 14 17 15 +REMARK SMILES IDX 9 16 16 17 10 18 11 19 15 20 12 21 14 22 13 23 +REMARK H PARENT 3 11 21 12 +COMPND /tmp/tmp6yop7uxz/64624350_s1668778_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.668 15.925 -7.645 1.00 0.00 O +ATOM 2 C UNL A 1 22.597 16.716 -7.670 1.00 0.00 C +ATOM 3 N UNL A 1 23.831 16.526 -8.308 1.00 0.00 N +ATOM 4 C UNL A 1 24.598 17.667 -8.111 1.00 0.00 C +ATOM 5 C UNL A 1 25.865 17.982 -8.554 1.00 0.00 C +ATOM 6 C UNL A 1 26.382 19.261 -8.261 1.00 0.00 C +ATOM 7 C UNL A 1 25.555 20.053 -7.408 1.00 0.00 C +ATOM 8 N UNL A 1 24.299 19.753 -6.955 1.00 0.00 N +ATOM 9 C UNL A 1 23.867 18.561 -7.349 1.00 0.00 C +ATOM 10 N UNL A 1 22.638 17.981 -7.081 1.00 0.00 N +ATOM 11 H UNL A 1 24.076 15.694 -8.823 1.00 0.00 H +ATOM 12 H UNL A 1 21.902 18.406 -6.549 1.00 0.00 H +ATOM 13 N UNL A 1 27.643 19.699 -8.764 1.00 0.00 N +ATOM 14 C UNL A 1 28.618 20.151 -7.739 1.00 0.00 C +ATOM 15 C UNL A 1 27.610 20.477 -10.018 1.00 0.00 C +ATOM 16 C UNL A 1 29.725 21.079 -8.231 1.00 0.00 C +ATOM 17 C UNL A 1 28.848 20.425 -10.896 1.00 0.00 C +ATOM 18 O UNL A 1 30.593 20.447 -9.156 1.00 0.00 O +ATOM 19 C UNL A 1 30.173 20.507 -10.453 1.00 0.00 C +ATOM 20 C UNL A 1 28.632 20.430 -12.296 1.00 0.00 C +ATOM 21 C UNL A 1 31.226 20.631 -11.374 1.00 0.00 C +ATOM 22 C UNL A 1 29.683 20.551 -13.208 1.00 0.00 C +ATOM 23 C UNL A 1 30.983 20.676 -12.744 1.00 0.00 C +CONECT 1 2 2 +CONECT 2 3 1 1 10 +CONECT 3 11 4 2 +CONECT 4 5 5 3 9 +CONECT 5 6 4 4 +CONECT 6 13 5 7 7 +CONECT 7 6 6 8 +CONECT 8 7 9 9 +CONECT 9 4 10 8 8 +CONECT 10 2 9 12 +CONECT 11 3 +CONECT 12 10 +CONECT 13 15 6 14 +CONECT 14 13 16 +CONECT 15 17 13 +CONECT 16 18 14 +CONECT 17 20 20 19 15 +CONECT 18 19 16 +CONECT 19 21 21 17 18 +CONECT 20 22 17 17 +CONECT 21 23 19 19 +CONECT 22 23 23 20 +CONECT 23 22 22 21 +MASTER 0 0 0 0 0 0 0 0 23 0 23 0 +END diff --git a/s1668779_cmpx.pdb b/s1668779_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..d8c4408e1b32a0d465b028cf6163b2f981a80560 --- /dev/null +++ b/s1668779_cmpx.pdb @@ -0,0 +1,1614 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.8 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=c1[nH]c2cc(-c3ccc4c(c3)CNCCO4)cnc2[nH]1 +REMARK SMILES IDX 7 1 8 2 9 3 10 4 11 5 12 6 13 7 14 8 15 9 16 10 17 11 6 13 +REMARK SMILES IDX 2 14 3 15 21 16 4 17 20 18 5 19 19 20 18 21 1 22 +REMARK H PARENT 14 12 3 23 21 24 +COMPND /tmp/tmpuxkon4jf/65818659_s1668779_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 C UNL A 1 27.414 19.954 -9.279 1.00 0.00 C +ATOM 2 C UNL A 1 28.649 19.850 -8.636 1.00 0.00 C +ATOM 3 C UNL A 1 29.835 20.100 -9.334 1.00 0.00 C +ATOM 4 C UNL A 1 29.821 20.446 -10.695 1.00 0.00 C +ATOM 5 C UNL A 1 28.616 20.715 -11.333 1.00 0.00 C +ATOM 6 C UNL A 1 27.429 20.441 -10.601 1.00 0.00 C +ATOM 7 C UNL A 1 28.372 21.153 -12.762 1.00 0.00 C +ATOM 8 N UNL A 1 29.394 21.729 -13.618 1.00 0.00 N +ATOM 9 C UNL A 1 30.790 21.372 -13.452 1.00 0.00 C +ATOM 10 C UNL A 1 31.081 20.121 -12.643 1.00 0.00 C +ATOM 11 O UNL A 1 31.063 20.456 -11.258 1.00 0.00 O +ATOM 12 H UNL A 1 29.284 22.735 -13.713 1.00 0.00 H +ATOM 13 C UNL A 1 26.151 19.498 -8.659 1.00 0.00 C +ATOM 14 C UNL A 1 22.562 16.822 -7.699 1.00 0.00 C +ATOM 15 N UNL A 1 23.609 16.770 -8.630 1.00 0.00 N +ATOM 16 N UNL A 1 22.738 17.993 -6.954 1.00 0.00 N +ATOM 17 C UNL A 1 24.403 17.894 -8.440 1.00 0.00 C +ATOM 18 C UNL A 1 23.864 18.656 -7.413 1.00 0.00 C +ATOM 19 C UNL A 1 25.549 18.294 -9.078 1.00 0.00 C +ATOM 20 N UNL A 1 24.375 19.800 -6.958 1.00 0.00 N +ATOM 21 C UNL A 1 25.508 20.193 -7.602 1.00 0.00 C +ATOM 22 O UNL A 1 21.677 15.994 -7.570 1.00 0.00 O +ATOM 23 H UNL A 1 23.740 16.025 -9.296 1.00 0.00 H +ATOM 24 H UNL A 1 22.150 18.300 -6.204 1.00 0.00 H +CONECT 1 6 6 13 2 +CONECT 2 3 3 1 +CONECT 3 4 2 2 +CONECT 4 5 5 11 3 +CONECT 5 7 4 4 6 +CONECT 6 5 1 1 +CONECT 7 8 5 +CONECT 8 12 9 7 +CONECT 9 8 10 +CONECT 10 9 11 +CONECT 11 10 4 +CONECT 12 8 +CONECT 13 1 19 19 21 +CONECT 14 15 22 22 16 +CONECT 15 23 17 14 +CONECT 16 14 18 24 +CONECT 17 19 15 18 18 +CONECT 18 17 17 20 16 +CONECT 19 13 13 17 +CONECT 20 21 21 18 +CONECT 21 13 20 20 +CONECT 22 14 14 +CONECT 23 15 +CONECT 24 16 +MASTER 0 0 0 0 0 0 0 0 24 0 24 0 +END diff --git a/s1668791_cmpx.pdb b/s1668791_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..16f1db02c8d03ada7cf7c8faaddec265d7084142 --- /dev/null +++ b/s1668791_cmpx.pdb @@ -0,0 +1,1610 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.5 0.000 0.000 +REMARK CORE N12CCNCC1=CC=N2 +REMARK SMILES O=c1[nH]c2cc(-c3cnn4c3CNCC4)cnc2[nH]1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 16 7 17 8 18 9 19 10 7 13 8 14 11 15 +REMARK SMILES IDX 9 16 10 17 12 18 15 19 13 20 14 21 +REMARK H PARENT 3 11 19 12 13 22 +COMPND /tmp/tmp8d6f31sc/64624353_s1668791_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.454 16.044 -7.427 1.00 0.00 O +ATOM 2 C UNL A 1 22.382 16.807 -7.599 1.00 0.00 C +ATOM 3 N UNL A 1 23.357 16.714 -8.606 1.00 0.00 N +ATOM 4 C UNL A 1 24.206 17.808 -8.486 1.00 0.00 C +ATOM 5 C UNL A 1 25.260 18.211 -9.268 1.00 0.00 C +ATOM 6 C UNL A 1 25.866 19.426 -8.917 1.00 0.00 C +ATOM 7 C UNL A 1 25.382 20.120 -7.786 1.00 0.00 C +ATOM 8 N UNL A 1 24.348 19.715 -6.999 1.00 0.00 N +ATOM 9 C UNL A 1 23.792 18.572 -7.399 1.00 0.00 C +ATOM 10 N UNL A 1 22.680 17.953 -6.855 1.00 0.00 N +ATOM 11 H UNL A 1 23.369 15.992 -9.308 1.00 0.00 H +ATOM 12 H UNL A 1 22.141 18.306 -6.083 1.00 0.00 H +ATOM 13 C UNL A 1 26.876 20.010 -9.774 1.00 0.00 C +ATOM 14 C UNL A 1 26.724 20.565 -11.069 1.00 0.00 C +ATOM 15 C UNL A 1 28.216 20.184 -9.483 1.00 0.00 C +ATOM 16 N UNL A 1 27.862 21.070 -11.550 1.00 0.00 N +ATOM 17 N UNL A 1 28.741 20.842 -10.562 1.00 0.00 N +ATOM 18 C UNL A 1 29.101 19.833 -8.346 1.00 0.00 C +ATOM 19 C UNL A 1 30.132 21.219 -10.711 1.00 0.00 C +ATOM 20 N UNL A 1 30.449 19.526 -8.830 1.00 0.00 N +ATOM 21 C UNL A 1 31.011 20.659 -9.583 1.00 0.00 C +ATOM 22 H UNL A 1 30.392 18.705 -9.434 1.00 0.00 H +CONECT 1 2 2 +CONECT 2 3 1 1 10 +CONECT 3 11 4 2 +CONECT 4 5 5 3 9 +CONECT 5 6 4 4 +CONECT 6 13 5 7 7 +CONECT 7 6 6 8 +CONECT 8 7 9 9 +CONECT 9 4 8 8 10 +CONECT 10 2 9 12 +CONECT 11 3 +CONECT 12 10 +CONECT 13 14 15 15 6 +CONECT 14 16 16 13 +CONECT 15 17 13 13 18 +CONECT 16 14 14 17 +CONECT 17 16 19 15 +CONECT 18 15 20 +CONECT 19 17 21 +CONECT 20 21 22 18 +CONECT 21 19 20 +CONECT 22 20 +MASTER 0 0 0 0 0 0 0 0 22 0 22 0 +END diff --git a/s1668792_cmpx.pdb b/s1668792_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..dd172b992e6cd97dc2750346f2c5e7e27c634c53 --- /dev/null +++ b/s1668792_cmpx.pdb @@ -0,0 +1,1610 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.5 0.000 0.000 +REMARK CORE N12CCCNCC1=CC=N2 +REMARK SMILES O=c1[nH]c2cc(N3CCCn4nccc4C3)cnc2[nH]1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 17 7 18 8 19 9 20 10 7 13 8 14 16 15 +REMARK SMILES IDX 9 16 15 17 10 18 11 19 14 20 12 21 13 22 +REMARK H PARENT 3 11 20 12 +COMPND /tmp/tmpdq9vnb5p/64624354_s1668792_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.600 15.931 -7.579 1.00 0.00 O +ATOM 2 C UNL A 1 22.506 16.737 -7.678 1.00 0.00 C +ATOM 3 N UNL A 1 23.616 16.640 -8.533 1.00 0.00 N +ATOM 4 C UNL A 1 24.420 17.756 -8.324 1.00 0.00 C +ATOM 5 C UNL A 1 25.629 18.103 -8.882 1.00 0.00 C +ATOM 6 C UNL A 1 26.268 19.280 -8.427 1.00 0.00 C +ATOM 7 C UNL A 1 25.507 20.050 -7.503 1.00 0.00 C +ATOM 8 N UNL A 1 24.305 19.714 -6.936 1.00 0.00 N +ATOM 9 C UNL A 1 23.820 18.557 -7.369 1.00 0.00 C +ATOM 10 N UNL A 1 22.651 17.931 -6.967 1.00 0.00 N +ATOM 11 H UNL A 1 23.775 15.868 -9.160 1.00 0.00 H +ATOM 12 H UNL A 1 22.021 18.278 -6.266 1.00 0.00 H +ATOM 13 N UNL A 1 27.574 19.674 -8.891 1.00 0.00 N +ATOM 14 C UNL A 1 28.422 20.261 -7.826 1.00 0.00 C +ATOM 15 C UNL A 1 27.577 20.369 -10.199 1.00 0.00 C +ATOM 16 C UNL A 1 29.777 20.817 -8.239 1.00 0.00 C +ATOM 17 C UNL A 1 28.815 20.344 -11.037 1.00 0.00 C +ATOM 18 C UNL A 1 30.520 19.932 -9.216 1.00 0.00 C +ATOM 19 N UNL A 1 30.090 20.165 -10.578 1.00 0.00 N +ATOM 20 C UNL A 1 28.946 20.527 -12.403 1.00 0.00 C +ATOM 21 N UNL A 1 31.030 20.302 -11.537 1.00 0.00 N +ATOM 22 C UNL A 1 30.327 20.511 -12.650 1.00 0.00 C +CONECT 1 2 2 +CONECT 2 3 1 1 10 +CONECT 3 11 4 2 +CONECT 4 5 5 3 9 +CONECT 5 6 4 4 +CONECT 6 13 5 7 7 +CONECT 7 6 6 8 +CONECT 8 7 9 9 +CONECT 9 4 10 8 8 +CONECT 10 2 9 12 +CONECT 11 3 +CONECT 12 10 +CONECT 13 15 6 14 +CONECT 14 13 16 +CONECT 15 17 13 +CONECT 16 18 14 +CONECT 17 20 20 19 15 +CONECT 18 19 16 +CONECT 19 21 17 18 +CONECT 20 22 17 17 +CONECT 21 22 22 19 +CONECT 22 20 21 21 +MASTER 0 0 0 0 0 0 0 0 22 0 22 0 +END diff --git a/s1682791_cmpx.pdb b/s1682791_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..8ddb80500d1bdf55c73162e68cee511662cec3e3 --- /dev/null +++ b/s1682791_cmpx.pdb @@ -0,0 +1,1604 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.5 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(C3=CCCCC3)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 15 9 16 10 17 11 18 12 9 14 +REMARK SMILES IDX 10 15 14 16 11 17 13 18 12 19 +REMARK H PARENT 18 13 +COMPND /tmp/tmpwaywps7y/64631637_s1682791_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.656 16.066 -7.526 1.00 0.00 O +ATOM 2 C UNL A 1 22.666 16.755 -7.654 1.00 0.00 C +ATOM 3 C UNL A 1 22.888 18.043 -6.837 1.00 0.00 C +ATOM 4 O UNL A 1 24.189 18.457 -6.436 1.00 0.00 O +ATOM 5 C UNL A 1 24.906 18.957 -7.486 1.00 0.00 C +ATOM 6 C UNL A 1 25.282 20.297 -7.466 1.00 0.00 C +ATOM 7 C UNL A 1 26.035 20.824 -8.521 1.00 0.00 C +ATOM 8 C UNL A 1 26.419 20.004 -9.592 1.00 0.00 C +ATOM 9 C UNL A 1 26.069 18.650 -9.577 1.00 0.00 C +ATOM 10 C UNL A 1 25.315 18.116 -8.525 1.00 0.00 C +ATOM 11 C UNL A 1 24.976 16.661 -8.484 1.00 0.00 C +ATOM 12 N UNL A 1 23.564 16.435 -8.639 1.00 0.00 N +ATOM 13 H UNL A 1 23.289 15.603 -9.146 1.00 0.00 H +ATOM 14 C UNL A 1 27.201 20.542 -10.714 1.00 0.00 C +ATOM 15 C UNL A 1 26.578 21.190 -11.718 1.00 0.00 C +ATOM 16 C UNL A 1 28.698 20.372 -10.655 1.00 0.00 C +ATOM 17 C UNL A 1 27.308 21.756 -12.901 1.00 0.00 C +ATOM 18 C UNL A 1 29.445 21.257 -11.660 1.00 0.00 C +ATOM 19 C UNL A 1 28.750 21.257 -13.019 1.00 0.00 C +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 15 15 16 8 +CONECT 15 17 14 14 +CONECT 16 18 14 +CONECT 17 19 15 +CONECT 18 19 16 +CONECT 19 17 18 +MASTER 0 0 0 0 0 0 0 0 19 0 19 0 +END diff --git a/s1690029_cmpx.pdb b/s1690029_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..a59182500b8b2905208eab42724274d5feedd577 --- /dev/null +++ b/s1690029_cmpx.pdb @@ -0,0 +1,1612 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.4 0.000 0.000 +REMARK CORE N12CCNCC1=CC=N2 +REMARK SMILES Oc1cc2cc(Oc3cnn4c3CNCC4)ccc2[nH]1 +REMARK SMILES IDX 2 1 3 2 4 3 5 4 6 5 17 6 18 7 19 8 20 9 1 11 7 13 8 14 9 15 +REMARK SMILES IDX 12 16 10 17 11 18 13 19 16 20 14 21 15 22 +REMARK H PARENT 20 10 1 12 14 23 +COMPND /tmp/tmp4i41igw0/65841623_s1690029_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 C UNL A 1 22.517 16.813 -7.644 1.00 0.00 C +ATOM 2 C UNL A 1 22.730 17.932 -6.878 1.00 0.00 C +ATOM 3 C UNL A 1 23.869 18.605 -7.406 1.00 0.00 C +ATOM 4 C UNL A 1 24.543 19.786 -7.066 1.00 0.00 C +ATOM 5 C UNL A 1 25.617 20.209 -7.856 1.00 0.00 C +ATOM 6 C UNL A 1 26.078 19.430 -8.918 1.00 0.00 C +ATOM 7 C UNL A 1 25.439 18.232 -9.257 1.00 0.00 C +ATOM 8 C UNL A 1 24.327 17.856 -8.492 1.00 0.00 C +ATOM 9 N UNL A 1 23.493 16.768 -8.603 1.00 0.00 N +ATOM 10 H UNL A 1 23.566 16.043 -9.299 1.00 0.00 H +ATOM 11 O UNL A 1 21.592 15.865 -7.598 1.00 0.00 O +ATOM 12 H UNL A 1 21.993 15.096 -7.152 1.00 0.00 H +ATOM 13 O UNL A 1 26.286 21.381 -7.585 1.00 0.00 O +ATOM 14 C UNL A 1 27.085 21.467 -6.499 1.00 0.00 C +ATOM 15 C UNL A 1 26.786 21.706 -5.139 1.00 0.00 C +ATOM 16 C UNL A 1 28.452 21.355 -6.552 1.00 0.00 C +ATOM 17 N UNL A 1 27.886 21.708 -4.374 1.00 0.00 N +ATOM 18 N UNL A 1 28.875 21.502 -5.263 1.00 0.00 N +ATOM 19 C UNL A 1 29.429 21.120 -7.630 1.00 0.00 C +ATOM 20 C UNL A 1 30.262 21.525 -4.853 1.00 0.00 C +ATOM 21 N UNL A 1 30.650 21.889 -7.367 1.00 0.00 N +ATOM 22 C UNL A 1 31.226 21.560 -6.053 1.00 0.00 C +ATOM 23 H UNL A 1 30.408 22.880 -7.397 1.00 0.00 H +CONECT 1 9 11 2 2 +CONECT 2 1 1 3 +CONECT 3 8 8 4 2 +CONECT 4 5 5 3 +CONECT 5 6 13 4 4 +CONECT 6 7 7 5 +CONECT 7 6 6 8 +CONECT 8 7 9 3 3 +CONECT 9 10 8 1 +CONECT 10 9 +CONECT 11 1 12 +CONECT 12 11 +CONECT 13 5 14 +CONECT 14 13 16 16 15 +CONECT 15 14 17 17 +CONECT 16 19 14 14 18 +CONECT 17 18 15 15 +CONECT 18 16 20 17 +CONECT 19 21 16 +CONECT 20 22 18 +CONECT 21 19 23 22 +CONECT 22 21 20 +CONECT 23 21 +MASTER 0 0 0 0 0 0 0 0 23 0 23 0 +END diff --git a/s1691175_cmpx.pdb b/s1691175_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..e661036085748cf33abf7292e349c496b36b7a8a --- /dev/null +++ b/s1691175_cmpx.pdb @@ -0,0 +1,1612 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -9.3 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(-c3ccc4c(c3)CCC4=O)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 19 9 20 10 21 11 22 12 9 14 +REMARK SMILES IDX 10 15 14 16 11 17 13 18 12 19 15 20 17 21 16 22 18 23 +REMARK H PARENT 22 13 +COMPND /tmp/tmpx_nzu8vf/58148058_s1691175_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.657 16.120 -7.670 1.00 0.00 O +ATOM 2 C UNL A 1 22.729 16.728 -7.687 1.00 0.00 C +ATOM 3 C UNL A 1 22.947 17.984 -6.823 1.00 0.00 C +ATOM 4 O UNL A 1 24.256 18.337 -6.392 1.00 0.00 O +ATOM 5 C UNL A 1 24.937 18.908 -7.431 1.00 0.00 C +ATOM 6 C UNL A 1 25.242 20.258 -7.366 1.00 0.00 C +ATOM 7 C UNL A 1 25.895 20.855 -8.444 1.00 0.00 C +ATOM 8 C UNL A 1 26.243 20.123 -9.601 1.00 0.00 C +ATOM 9 C UNL A 1 25.950 18.748 -9.610 1.00 0.00 C +ATOM 10 C UNL A 1 25.327 18.127 -8.518 1.00 0.00 C +ATOM 11 C UNL A 1 25.093 16.651 -8.475 1.00 0.00 C +ATOM 12 N UNL A 1 23.690 16.320 -8.561 1.00 0.00 N +ATOM 13 H UNL A 1 23.444 15.462 -9.040 1.00 0.00 H +ATOM 14 C UNL A 1 27.001 20.778 -10.692 1.00 0.00 C +ATOM 15 C UNL A 1 28.336 20.382 -10.985 1.00 0.00 C +ATOM 16 C UNL A 1 26.357 21.677 -11.568 1.00 0.00 C +ATOM 17 C UNL A 1 28.944 20.698 -12.200 1.00 0.00 C +ATOM 18 C UNL A 1 26.963 21.990 -12.769 1.00 0.00 C +ATOM 19 C UNL A 1 28.202 21.445 -13.086 1.00 0.00 C +ATOM 20 C UNL A 1 26.413 22.774 -13.918 1.00 0.00 C +ATOM 21 C UNL A 1 28.361 21.572 -14.529 1.00 0.00 C +ATOM 22 C UNL A 1 27.041 22.033 -15.100 1.00 0.00 C +ATOM 23 O UNL A 1 29.348 21.217 -15.156 1.00 0.00 O +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 16 16 15 8 +CONECT 15 17 17 14 +CONECT 16 18 14 14 +CONECT 17 19 15 15 +CONECT 18 20 19 19 16 +CONECT 19 21 18 18 17 +CONECT 20 22 18 +CONECT 21 23 23 22 19 +CONECT 22 21 20 +CONECT 23 21 21 +MASTER 0 0 0 0 0 0 0 0 23 0 23 0 +END diff --git a/s1749739_cmpx.pdb b/s1749739_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..db4078eb4b4c28be576ef2d4ed0b744e838ecf48 --- /dev/null +++ b/s1749739_cmpx.pdb @@ -0,0 +1,1614 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.7 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(NC3Cc4ccccc4C3)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 19 9 20 10 21 11 22 12 9 14 +REMARK SMILES IDX 10 16 11 17 18 18 12 19 17 20 13 21 16 22 14 23 15 24 +REMARK H PARENT 22 13 9 15 +COMPND /tmp/tmpm1um1p75/65904901_s1749739_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.730 16.055 -7.691 1.00 0.00 O +ATOM 2 C UNL A 1 22.749 16.749 -7.697 1.00 0.00 C +ATOM 3 C UNL A 1 22.856 18.025 -6.848 1.00 0.00 C +ATOM 4 O UNL A 1 24.116 18.463 -6.363 1.00 0.00 O +ATOM 5 C UNL A 1 24.852 19.039 -7.360 1.00 0.00 C +ATOM 6 C UNL A 1 25.156 20.390 -7.258 1.00 0.00 C +ATOM 7 C UNL A 1 25.972 20.981 -8.223 1.00 0.00 C +ATOM 8 C UNL A 1 26.485 20.242 -9.300 1.00 0.00 C +ATOM 9 C UNL A 1 26.184 18.877 -9.368 1.00 0.00 C +ATOM 10 C UNL A 1 25.373 18.263 -8.396 1.00 0.00 C +ATOM 11 C UNL A 1 25.140 16.783 -8.394 1.00 0.00 C +ATOM 12 N UNL A 1 23.754 16.420 -8.563 1.00 0.00 N +ATOM 13 H UNL A 1 23.566 15.545 -9.035 1.00 0.00 H +ATOM 14 N UNL A 1 27.383 20.900 -10.147 1.00 0.00 N +ATOM 15 H UNL A 1 27.778 21.689 -9.632 1.00 0.00 H +ATOM 16 C UNL A 1 28.432 20.171 -10.868 1.00 0.00 C +ATOM 17 C UNL A 1 28.752 20.803 -12.244 1.00 0.00 C +ATOM 18 C UNL A 1 29.757 20.237 -10.062 1.00 0.00 C +ATOM 19 C UNL A 1 30.219 20.526 -12.383 1.00 0.00 C +ATOM 20 C UNL A 1 30.788 20.211 -11.145 1.00 0.00 C +ATOM 21 C UNL A 1 31.002 20.609 -13.522 1.00 0.00 C +ATOM 22 C UNL A 1 32.148 19.981 -11.017 1.00 0.00 C +ATOM 23 C UNL A 1 32.371 20.363 -13.407 1.00 0.00 C +ATOM 24 C UNL A 1 32.942 20.052 -12.163 1.00 0.00 C +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 16 15 8 +CONECT 15 14 +CONECT 16 17 14 18 +CONECT 17 19 16 +CONECT 18 20 16 +CONECT 19 21 21 17 20 +CONECT 20 19 22 22 18 +CONECT 21 23 19 19 +CONECT 22 24 20 20 +CONECT 23 21 24 24 +CONECT 24 23 23 22 +MASTER 0 0 0 0 0 0 0 0 24 0 24 0 +END diff --git a/s1765311_cmpx.pdb b/s1765311_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..d9a81323a6871c3ad08a7b95dd777adcfb021c03 --- /dev/null +++ b/s1765311_cmpx.pdb @@ -0,0 +1,1606 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.5 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(CC3=CCCCC3)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 16 9 17 10 18 11 19 12 9 14 +REMARK SMILES IDX 10 15 11 16 15 17 12 18 14 19 13 20 +REMARK H PARENT 19 13 +COMPND /tmp/tmpx83wg0gi/64674910_s1765311_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.518 16.121 -7.589 1.00 0.00 O +ATOM 2 C UNL A 1 22.589 16.729 -7.623 1.00 0.00 C +ATOM 3 C UNL A 1 22.839 17.960 -6.732 1.00 0.00 C +ATOM 4 O UNL A 1 24.151 18.350 -6.361 1.00 0.00 O +ATOM 5 C UNL A 1 24.812 18.901 -7.423 1.00 0.00 C +ATOM 6 C UNL A 1 25.113 20.260 -7.393 1.00 0.00 C +ATOM 7 C UNL A 1 25.831 20.831 -8.445 1.00 0.00 C +ATOM 8 C UNL A 1 26.282 20.037 -9.510 1.00 0.00 C +ATOM 9 C UNL A 1 25.975 18.666 -9.517 1.00 0.00 C +ATOM 10 C UNL A 1 25.240 18.088 -8.474 1.00 0.00 C +ATOM 11 C UNL A 1 24.938 16.622 -8.446 1.00 0.00 C +ATOM 12 N UNL A 1 23.525 16.344 -8.541 1.00 0.00 N +ATOM 13 H UNL A 1 23.247 15.512 -9.045 1.00 0.00 H +ATOM 14 C UNL A 1 27.112 20.637 -10.624 1.00 0.00 C +ATOM 15 C UNL A 1 28.609 20.516 -10.443 1.00 0.00 C +ATOM 16 C UNL A 1 29.148 20.090 -9.284 1.00 0.00 C +ATOM 17 C UNL A 1 29.477 20.815 -11.645 1.00 0.00 C +ATOM 18 C UNL A 1 30.620 19.887 -9.064 1.00 0.00 C +ATOM 19 C UNL A 1 30.873 20.195 -11.552 1.00 0.00 C +ATOM 20 C UNL A 1 31.495 20.449 -10.184 1.00 0.00 C +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 15 8 +CONECT 15 17 14 16 16 +CONECT 16 15 15 18 +CONECT 17 19 15 +CONECT 18 20 16 +CONECT 19 17 20 +CONECT 20 19 18 +MASTER 0 0 0 0 0 0 0 0 20 0 20 0 +END diff --git a/s176906_cmpx.pdb b/s176906_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..7e0f1d30b6ee66290065ae67e349b20a471aac6c --- /dev/null +++ b/s176906_cmpx.pdb @@ -0,0 +1,1608 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.6 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(CC3=CC[C@@H](F)C=C3)cc2CN1 +REMARK SMILES IDX 9 1 8 2 2 3 3 4 20 5 4 6 19 7 5 8 18 9 6 10 17 11 7 12 1 13 +REMARK SMILES IDX 10 15 11 16 16 17 12 18 15 19 13 20 14 21 +REMARK H PARENT 20 14 +COMPND /tmp/tmpnfl1_1vy/64677286_s176906_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 C UNL A 1 27.196 21.048 -10.391 1.00 0.00 C +ATOM 2 C UNL A 1 26.403 20.325 -9.321 1.00 0.00 C +ATOM 3 C UNL A 1 22.807 16.745 -7.729 1.00 0.00 C +ATOM 4 C UNL A 1 22.975 17.948 -6.784 1.00 0.00 C +ATOM 5 N UNL A 1 23.766 16.475 -8.665 1.00 0.00 N +ATOM 6 O UNL A 1 24.262 18.354 -6.345 1.00 0.00 O +ATOM 7 C UNL A 1 25.165 16.799 -8.522 1.00 0.00 C +ATOM 8 C UNL A 1 24.939 18.994 -7.347 1.00 0.00 C +ATOM 9 C UNL A 1 25.416 18.273 -8.443 1.00 0.00 C +ATOM 10 C UNL A 1 25.197 20.353 -7.211 1.00 0.00 C +ATOM 11 C UNL A 1 26.155 18.947 -9.426 1.00 0.00 C +ATOM 12 C UNL A 1 25.914 21.020 -8.205 1.00 0.00 C +ATOM 13 O UNL A 1 21.778 16.067 -7.728 1.00 0.00 O +ATOM 14 H UNL A 1 23.537 15.653 -9.209 1.00 0.00 H +ATOM 15 C UNL A 1 28.639 20.601 -10.528 1.00 0.00 C +ATOM 16 C UNL A 1 29.293 20.633 -11.705 1.00 0.00 C +ATOM 17 C UNL A 1 29.348 20.200 -9.325 1.00 0.00 C +ATOM 18 C UNL A 1 30.748 20.265 -11.860 1.00 0.00 C +ATOM 19 C UNL A 1 30.656 19.912 -9.326 1.00 0.00 C +ATOM 20 C UNL A 1 31.510 19.975 -10.553 1.00 0.00 C +ATOM 21 F UNL A 1 32.450 20.951 -10.383 1.00 0.00 F +CONECT 1 15 2 +CONECT 2 1 11 11 12 +CONECT 3 5 13 13 4 +CONECT 4 3 6 +CONECT 5 14 7 3 +CONECT 6 8 4 +CONECT 7 5 9 +CONECT 8 9 9 10 6 +CONECT 9 11 7 8 8 +CONECT 10 12 12 8 +CONECT 11 2 2 9 +CONECT 12 2 10 10 +CONECT 13 3 3 +CONECT 14 5 +CONECT 15 16 16 1 17 +CONECT 16 18 15 15 +CONECT 17 15 19 19 +CONECT 18 16 20 20 +CONECT 19 20 17 17 +CONECT 20 18 18 21 19 +CONECT 21 20 +MASTER 0 0 0 0 0 0 0 0 21 0 21 0 +END diff --git a/s1783264_cmpx.pdb b/s1783264_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..7ce8f26aa539f03abc2f4c224404248d7d7d4974 --- /dev/null +++ b/s1783264_cmpx.pdb @@ -0,0 +1,1610 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.9 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc([C@]34C[C@H]5CN(C[C@H]5C3)C4)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 18 9 19 10 20 11 21 12 9 14 +REMARK SMILES IDX 16 15 10 16 17 17 15 18 11 19 13 20 14 21 12 22 +REMARK H PARENT 21 13 +COMPND /tmp/tmpvkk3kvg4/65935456_s1783264_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.754 16.084 -7.624 1.00 0.00 O +ATOM 2 C UNL A 1 22.771 16.779 -7.688 1.00 0.00 C +ATOM 3 C UNL A 1 22.954 18.019 -6.799 1.00 0.00 C +ATOM 4 O UNL A 1 24.250 18.430 -6.388 1.00 0.00 O +ATOM 5 C UNL A 1 24.914 19.045 -7.414 1.00 0.00 C +ATOM 6 C UNL A 1 25.221 20.396 -7.292 1.00 0.00 C +ATOM 7 C UNL A 1 25.917 21.043 -8.316 1.00 0.00 C +ATOM 8 C UNL A 1 26.318 20.352 -9.470 1.00 0.00 C +ATOM 9 C UNL A 1 26.022 18.976 -9.549 1.00 0.00 C +ATOM 10 C UNL A 1 25.333 18.314 -8.522 1.00 0.00 C +ATOM 11 C UNL A 1 25.094 16.836 -8.568 1.00 0.00 C +ATOM 12 N UNL A 1 23.696 16.490 -8.653 1.00 0.00 N +ATOM 13 H UNL A 1 23.465 15.640 -9.150 1.00 0.00 H +ATOM 14 C UNL A 1 27.061 21.032 -10.606 1.00 0.00 C +ATOM 15 C UNL A 1 28.146 20.130 -11.235 1.00 0.00 C +ATOM 16 C UNL A 1 26.246 21.305 -11.890 1.00 0.00 C +ATOM 17 C UNL A 1 27.741 22.390 -10.168 1.00 0.00 C +ATOM 18 C UNL A 1 28.619 21.016 -12.395 1.00 0.00 C +ATOM 19 C UNL A 1 27.347 21.804 -12.833 1.00 0.00 C +ATOM 20 N UNL A 1 28.533 23.062 -11.257 1.00 0.00 N +ATOM 21 C UNL A 1 29.520 22.101 -11.798 1.00 0.00 C +ATOM 22 C UNL A 1 27.659 23.249 -12.436 1.00 0.00 C +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 16 15 17 8 +CONECT 15 18 14 +CONECT 16 19 14 +CONECT 17 20 14 +CONECT 18 19 21 15 +CONECT 19 22 18 16 +CONECT 20 22 21 17 +CONECT 21 18 20 +CONECT 22 19 20 +MASTER 0 0 0 0 0 0 0 0 22 0 22 0 +END diff --git a/s1790684_cmpx.pdb b/s1790684_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..6493dcca0102f0efe0f8c6ef9bc6fe7c6ead3daf --- /dev/null +++ b/s1790684_cmpx.pdb @@ -0,0 +1,1610 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.4 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc([C@H]3CCCCNC3=O)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 17 9 18 10 19 11 20 12 9 14 +REMARK SMILES IDX 10 15 15 16 11 17 14 18 12 19 13 20 16 21 +REMARK H PARENT 20 13 14 22 +COMPND /tmp/tmp965ypexs/64688356_s1790684_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.584 16.026 -7.501 1.00 0.00 O +ATOM 2 C UNL A 1 22.583 16.725 -7.646 1.00 0.00 C +ATOM 3 C UNL A 1 22.812 18.016 -6.834 1.00 0.00 C +ATOM 4 O UNL A 1 24.113 18.420 -6.429 1.00 0.00 O +ATOM 5 C UNL A 1 24.841 18.909 -7.481 1.00 0.00 C +ATOM 6 C UNL A 1 25.240 20.244 -7.459 1.00 0.00 C +ATOM 7 C UNL A 1 26.012 20.756 -8.508 1.00 0.00 C +ATOM 8 C UNL A 1 26.397 19.934 -9.580 1.00 0.00 C +ATOM 9 C UNL A 1 26.019 18.583 -9.556 1.00 0.00 C +ATOM 10 C UNL A 1 25.250 18.064 -8.512 1.00 0.00 C +ATOM 11 C UNL A 1 24.879 16.620 -8.493 1.00 0.00 C +ATOM 12 N UNL A 1 23.461 16.436 -8.657 1.00 0.00 N +ATOM 13 H UNL A 1 23.166 15.657 -9.228 1.00 0.00 H +ATOM 14 C UNL A 1 27.222 20.475 -10.745 1.00 0.00 C +ATOM 15 C UNL A 1 26.774 21.913 -11.083 1.00 0.00 C +ATOM 16 C UNL A 1 28.733 20.417 -10.466 1.00 0.00 C +ATOM 17 C UNL A 1 27.029 22.324 -12.533 1.00 0.00 C +ATOM 18 N UNL A 1 29.582 20.743 -11.482 1.00 0.00 N +ATOM 19 C UNL A 1 28.501 22.418 -12.927 1.00 0.00 C +ATOM 20 C UNL A 1 29.234 21.087 -12.842 1.00 0.00 C +ATOM 21 O UNL A 1 29.231 20.094 -9.384 1.00 0.00 O +ATOM 22 H UNL A 1 30.561 20.665 -11.233 1.00 0.00 H +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 15 16 8 +CONECT 15 17 14 +CONECT 16 18 14 21 21 +CONECT 17 19 15 +CONECT 18 20 22 16 +CONECT 19 20 17 +CONECT 20 19 18 +CONECT 21 16 16 +CONECT 22 18 +MASTER 0 0 0 0 0 0 0 0 22 0 22 0 +END diff --git a/s1793868_cmpx.pdb b/s1793868_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..c156c431ef3c2dbad9c63b73086c3a7a9cc2a4ca --- /dev/null +++ b/s1793868_cmpx.pdb @@ -0,0 +1,1608 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.6 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(Cc3ccc(F)nc3)cc2CN1 +REMARK SMILES IDX 9 1 8 2 2 3 3 4 20 5 4 6 19 7 5 8 18 9 6 10 17 11 7 12 1 13 +REMARK SMILES IDX 10 15 11 16 16 17 12 18 15 19 13 20 14 21 +REMARK H PARENT 20 14 +COMPND /tmp/tmpmhgmc8yf/58201877_s1793868_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 C UNL A 1 27.202 20.937 -10.552 1.00 0.00 C +ATOM 2 C UNL A 1 26.429 20.259 -9.443 1.00 0.00 C +ATOM 3 C UNL A 1 22.813 16.765 -7.705 1.00 0.00 C +ATOM 4 C UNL A 1 22.994 18.004 -6.811 1.00 0.00 C +ATOM 5 N UNL A 1 23.774 16.434 -8.617 1.00 0.00 N +ATOM 6 O UNL A 1 24.286 18.416 -6.391 1.00 0.00 O +ATOM 7 C UNL A 1 25.172 16.772 -8.510 1.00 0.00 C +ATOM 8 C UNL A 1 24.962 19.012 -7.419 1.00 0.00 C +ATOM 9 C UNL A 1 25.420 18.250 -8.494 1.00 0.00 C +ATOM 10 C UNL A 1 25.245 20.372 -7.327 1.00 0.00 C +ATOM 11 C UNL A 1 26.148 18.884 -9.509 1.00 0.00 C +ATOM 12 C UNL A 1 25.968 20.996 -8.343 1.00 0.00 C +ATOM 13 O UNL A 1 21.770 16.108 -7.684 1.00 0.00 O +ATOM 14 H UNL A 1 23.540 15.586 -9.118 1.00 0.00 H +ATOM 15 C UNL A 1 28.659 20.558 -10.573 1.00 0.00 C +ATOM 16 C UNL A 1 29.354 20.251 -9.400 1.00 0.00 C +ATOM 17 C UNL A 1 29.377 20.540 -11.767 1.00 0.00 C +ATOM 18 C UNL A 1 30.709 19.943 -9.468 1.00 0.00 C +ATOM 19 N UNL A 1 30.692 20.239 -11.862 1.00 0.00 N +ATOM 20 C UNL A 1 31.325 19.954 -10.707 1.00 0.00 C +ATOM 21 F UNL A 1 32.632 19.664 -10.773 1.00 0.00 F +CONECT 1 15 2 +CONECT 2 1 11 11 12 +CONECT 3 5 13 13 4 +CONECT 4 3 6 +CONECT 5 14 7 3 +CONECT 6 8 4 +CONECT 7 5 9 +CONECT 8 9 9 10 6 +CONECT 9 11 7 8 8 +CONECT 10 12 12 8 +CONECT 11 2 2 9 +CONECT 12 2 10 10 +CONECT 13 3 3 +CONECT 14 5 +CONECT 15 17 17 1 16 +CONECT 16 15 18 18 +CONECT 17 19 15 15 +CONECT 18 20 16 16 +CONECT 19 17 20 20 +CONECT 20 19 19 21 18 +CONECT 21 20 +MASTER 0 0 0 0 0 0 0 0 21 0 21 0 +END diff --git a/s1813239_cmpx.pdb b/s1813239_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..915f420d768cbad7557975b50fdac960bfa9a708 --- /dev/null +++ b/s1813239_cmpx.pdb @@ -0,0 +1,1610 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.9 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(C3(c4ccncn4)CC3)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 18 9 19 10 20 11 21 12 9 14 +REMARK SMILES IDX 16 15 17 16 10 17 11 18 15 19 12 20 14 21 13 22 +REMARK H PARENT 21 13 +COMPND /tmp/tmpq1o42ncz/64699946_s1813239_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.742 16.111 -7.739 1.00 0.00 O +ATOM 2 C UNL A 1 22.795 16.748 -7.696 1.00 0.00 C +ATOM 3 C UNL A 1 22.953 17.969 -6.771 1.00 0.00 C +ATOM 4 O UNL A 1 24.228 18.410 -6.325 1.00 0.00 O +ATOM 5 C UNL A 1 24.907 19.013 -7.348 1.00 0.00 C +ATOM 6 C UNL A 1 25.170 20.375 -7.267 1.00 0.00 C +ATOM 7 C UNL A 1 25.876 21.000 -8.296 1.00 0.00 C +ATOM 8 C UNL A 1 26.340 20.271 -9.406 1.00 0.00 C +ATOM 9 C UNL A 1 26.075 18.890 -9.442 1.00 0.00 C +ATOM 10 C UNL A 1 25.379 18.249 -8.413 1.00 0.00 C +ATOM 11 C UNL A 1 25.181 16.769 -8.416 1.00 0.00 C +ATOM 12 N UNL A 1 23.794 16.404 -8.561 1.00 0.00 N +ATOM 13 H UNL A 1 23.584 15.570 -9.094 1.00 0.00 H +ATOM 14 C UNL A 1 27.214 20.899 -10.484 1.00 0.00 C +ATOM 15 C UNL A 1 26.889 22.295 -10.992 1.00 0.00 C +ATOM 16 C UNL A 1 26.583 21.117 -11.858 1.00 0.00 C +ATOM 17 C UNL A 1 28.666 20.416 -10.439 1.00 0.00 C +ATOM 18 C UNL A 1 29.467 20.480 -11.571 1.00 0.00 C +ATOM 19 N UNL A 1 29.190 20.057 -9.241 1.00 0.00 N +ATOM 20 C UNL A 1 30.807 20.209 -11.410 1.00 0.00 C +ATOM 21 C UNL A 1 30.507 19.800 -9.202 1.00 0.00 C +ATOM 22 N UNL A 1 31.356 19.866 -10.234 1.00 0.00 N +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 16 15 17 8 +CONECT 15 16 14 +CONECT 16 15 14 +CONECT 17 18 18 14 19 +CONECT 18 20 17 17 +CONECT 19 17 21 21 +CONECT 20 18 22 22 +CONECT 21 22 19 19 +CONECT 22 20 20 21 +MASTER 0 0 0 0 0 0 0 0 22 0 22 0 +END diff --git a/s1826867_cmpx.pdb b/s1826867_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..94b508d414df7cca48a3fe21a46ef55030a3d6c1 --- /dev/null +++ b/s1826867_cmpx.pdb @@ -0,0 +1,1608 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.6 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(Cc3cccc[n+]3[O-])cc2CN1 +REMARK SMILES IDX 9 1 8 2 2 3 3 4 20 5 4 6 19 7 5 8 18 9 6 10 17 11 7 12 1 13 +REMARK SMILES IDX 10 15 11 16 15 17 12 18 14 19 13 20 16 21 +REMARK H PARENT 20 14 +COMPND /tmp/tmp711sdit0/58218540_s1826867_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 C UNL A 1 27.146 20.806 -10.502 1.00 0.00 C +ATOM 2 C UNL A 1 26.345 20.162 -9.390 1.00 0.00 C +ATOM 3 C UNL A 1 22.660 16.725 -7.667 1.00 0.00 C +ATOM 4 C UNL A 1 22.856 17.959 -6.768 1.00 0.00 C +ATOM 5 N UNL A 1 23.618 16.383 -8.575 1.00 0.00 N +ATOM 6 O UNL A 1 24.148 18.366 -6.346 1.00 0.00 O +ATOM 7 C UNL A 1 25.022 16.701 -8.463 1.00 0.00 C +ATOM 8 C UNL A 1 24.836 18.949 -7.375 1.00 0.00 C +ATOM 9 C UNL A 1 25.291 18.174 -8.441 1.00 0.00 C +ATOM 10 C UNL A 1 25.137 20.306 -7.290 1.00 0.00 C +ATOM 11 C UNL A 1 26.040 18.793 -9.450 1.00 0.00 C +ATOM 12 C UNL A 1 25.881 20.915 -8.302 1.00 0.00 C +ATOM 13 O UNL A 1 21.607 16.083 -7.650 1.00 0.00 O +ATOM 14 H UNL A 1 23.378 15.546 -9.091 1.00 0.00 H +ATOM 15 C UNL A 1 28.613 20.491 -10.424 1.00 0.00 C +ATOM 16 C UNL A 1 29.239 20.180 -9.203 1.00 0.00 C +ATOM 17 N UNL A 1 29.365 20.561 -11.597 1.00 0.00 N1+ +ATOM 18 C UNL A 1 30.612 19.953 -9.157 1.00 0.00 C +ATOM 19 C UNL A 1 30.733 20.341 -11.522 1.00 0.00 C +ATOM 20 C UNL A 1 31.367 20.041 -10.319 1.00 0.00 C +ATOM 21 O UNL A 1 28.836 20.810 -12.727 1.00 0.00 O1- +CONECT 1 15 2 +CONECT 2 1 11 11 12 +CONECT 3 5 13 13 4 +CONECT 4 3 6 +CONECT 5 14 7 3 +CONECT 6 8 4 +CONECT 7 5 9 +CONECT 8 9 9 10 6 +CONECT 9 11 7 8 8 +CONECT 10 12 12 8 +CONECT 11 2 2 9 +CONECT 12 2 10 10 +CONECT 13 3 3 +CONECT 14 5 +CONECT 15 17 17 1 16 +CONECT 16 15 18 18 +CONECT 17 21 19 15 15 +CONECT 18 20 16 16 +CONECT 19 17 20 20 +CONECT 20 19 19 18 +CONECT 21 17 +MASTER 0 0 0 0 0 0 0 0 21 0 21 0 +END diff --git a/s1832298_cmpx.pdb b/s1832298_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..d2613ab55643a9d2476f6f6c28e47f1dcdfdb12a --- /dev/null +++ b/s1832298_cmpx.pdb @@ -0,0 +1,1612 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -9.0 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(C[C@H]3Cc4ccccc4O3)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 19 9 20 10 21 11 22 12 9 14 +REMARK SMILES IDX 10 15 11 16 18 17 12 18 17 19 13 20 16 21 14 22 15 23 +REMARK H PARENT 22 13 +COMPND /tmp/tmp32f59gtv/64709449_s1832298_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.700 16.007 -7.711 1.00 0.00 O +ATOM 2 C UNL A 1 22.701 16.724 -7.720 1.00 0.00 C +ATOM 3 C UNL A 1 22.824 17.949 -6.801 1.00 0.00 C +ATOM 4 O UNL A 1 24.093 18.362 -6.317 1.00 0.00 O +ATOM 5 C UNL A 1 24.804 19.013 -7.287 1.00 0.00 C +ATOM 6 C UNL A 1 25.095 20.363 -7.105 1.00 0.00 C +ATOM 7 C UNL A 1 25.860 21.045 -8.055 1.00 0.00 C +ATOM 8 C UNL A 1 26.359 20.376 -9.179 1.00 0.00 C +ATOM 9 C UNL A 1 26.064 19.011 -9.338 1.00 0.00 C +ATOM 10 C UNL A 1 25.295 18.317 -8.391 1.00 0.00 C +ATOM 11 C UNL A 1 25.062 16.843 -8.512 1.00 0.00 C +ATOM 12 N UNL A 1 23.671 16.479 -8.653 1.00 0.00 N +ATOM 13 H UNL A 1 23.476 15.633 -9.171 1.00 0.00 H +ATOM 14 C UNL A 1 27.140 21.102 -10.251 1.00 0.00 C +ATOM 15 C UNL A 1 28.259 20.314 -10.938 1.00 0.00 C +ATOM 16 C UNL A 1 28.606 20.777 -12.363 1.00 0.00 C +ATOM 17 O UNL A 1 29.469 20.451 -10.132 1.00 0.00 O +ATOM 18 C UNL A 1 30.042 20.396 -12.363 1.00 0.00 C +ATOM 19 C UNL A 1 30.473 20.278 -11.049 1.00 0.00 C +ATOM 20 C UNL A 1 30.922 20.204 -13.413 1.00 0.00 C +ATOM 21 C UNL A 1 31.784 20.004 -10.726 1.00 0.00 C +ATOM 22 C UNL A 1 32.250 19.884 -13.108 1.00 0.00 C +ATOM 23 C UNL A 1 32.682 19.794 -11.775 1.00 0.00 C +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 15 8 +CONECT 15 16 14 17 +CONECT 16 18 15 +CONECT 17 19 15 +CONECT 18 20 20 16 19 +CONECT 19 18 21 21 17 +CONECT 20 22 18 18 +CONECT 21 23 19 19 +CONECT 22 20 23 23 +CONECT 23 22 22 21 +MASTER 0 0 0 0 0 0 0 0 23 0 23 0 +END diff --git a/s1842772_cmpx.pdb b/s1842772_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..e5d09c681ca2378f405430f7fca7d23c48479b8f --- /dev/null +++ b/s1842772_cmpx.pdb @@ -0,0 +1,1612 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.7 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc([C@@H]3CC(=O)c4ccccc43)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 19 9 20 10 21 11 22 12 9 14 +REMARK SMILES IDX 10 15 18 16 11 17 13 18 17 19 14 20 16 21 15 22 12 23 +REMARK H PARENT 22 13 +COMPND /tmp/tmp50mwjj28/64715204_s1842772_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.481 16.019 -7.540 1.00 0.00 O +ATOM 2 C UNL A 1 22.520 16.680 -7.609 1.00 0.00 C +ATOM 3 C UNL A 1 22.741 17.913 -6.726 1.00 0.00 C +ATOM 4 O UNL A 1 24.053 18.302 -6.363 1.00 0.00 O +ATOM 5 C UNL A 1 24.702 18.894 -7.410 1.00 0.00 C +ATOM 6 C UNL A 1 25.030 20.240 -7.294 1.00 0.00 C +ATOM 7 C UNL A 1 25.833 20.838 -8.264 1.00 0.00 C +ATOM 8 C UNL A 1 26.329 20.094 -9.348 1.00 0.00 C +ATOM 9 C UNL A 1 25.947 18.744 -9.466 1.00 0.00 C +ATOM 10 C UNL A 1 25.134 18.134 -8.496 1.00 0.00 C +ATOM 11 C UNL A 1 24.841 16.663 -8.533 1.00 0.00 C +ATOM 12 N UNL A 1 23.430 16.351 -8.572 1.00 0.00 N +ATOM 13 H UNL A 1 23.168 15.499 -9.051 1.00 0.00 H +ATOM 14 C UNL A 1 27.402 20.653 -10.274 1.00 0.00 C +ATOM 15 C UNL A 1 28.410 21.500 -9.452 1.00 0.00 C +ATOM 16 C UNL A 1 26.911 21.629 -11.311 1.00 0.00 C +ATOM 17 C UNL A 1 28.043 22.927 -9.772 1.00 0.00 C +ATOM 18 C UNL A 1 27.220 22.945 -10.976 1.00 0.00 C +ATOM 19 C UNL A 1 26.206 21.368 -12.477 1.00 0.00 C +ATOM 20 C UNL A 1 26.816 24.033 -11.724 1.00 0.00 C +ATOM 21 C UNL A 1 25.808 22.451 -13.271 1.00 0.00 C +ATOM 22 C UNL A 1 26.097 23.775 -12.890 1.00 0.00 C +ATOM 23 O UNL A 1 28.413 23.923 -9.179 1.00 0.00 O +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 16 15 8 +CONECT 15 14 17 +CONECT 16 19 19 18 14 +CONECT 17 18 15 23 23 +CONECT 18 20 20 16 17 +CONECT 19 21 16 16 +CONECT 20 22 18 18 +CONECT 21 22 22 19 +CONECT 22 21 21 20 +CONECT 23 17 17 +MASTER 0 0 0 0 0 0 0 0 23 0 23 0 +END diff --git a/s184740_cmpx.pdb b/s184740_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..d919fb2339828ffdbaf634ba335c33a53671dc7b --- /dev/null +++ b/s184740_cmpx.pdb @@ -0,0 +1,1612 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.6 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(C(=O)C3=NNC(=O)CC3)cc2CN1 +REMARK SMILES IDX 9 1 10 2 8 3 2 4 3 5 21 6 4 7 20 8 5 9 19 10 6 11 18 12 7 13 +REMARK SMILES IDX 1 14 11 16 12 17 17 18 13 19 16 20 14 21 15 23 +REMARK H PARENT 21 15 13 22 +COMPND /tmp/tmpbn0ta5v0/58229373_s184740_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 C UNL A 1 27.097 20.885 -10.268 1.00 0.00 C +ATOM 2 O UNL A 1 26.614 21.661 -11.084 1.00 0.00 O +ATOM 3 C UNL A 1 26.255 20.244 -9.228 1.00 0.00 C +ATOM 4 C UNL A 1 22.581 16.694 -7.674 1.00 0.00 C +ATOM 5 C UNL A 1 22.770 17.893 -6.728 1.00 0.00 C +ATOM 6 N UNL A 1 23.515 16.436 -8.636 1.00 0.00 N +ATOM 7 O UNL A 1 24.065 18.285 -6.297 1.00 0.00 O +ATOM 8 C UNL A 1 24.918 16.743 -8.514 1.00 0.00 C +ATOM 9 C UNL A 1 24.742 18.925 -7.298 1.00 0.00 C +ATOM 10 C UNL A 1 25.186 18.214 -8.414 1.00 0.00 C +ATOM 11 C UNL A 1 25.051 20.274 -7.129 1.00 0.00 C +ATOM 12 C UNL A 1 25.932 18.888 -9.390 1.00 0.00 C +ATOM 13 C UNL A 1 25.800 20.938 -8.103 1.00 0.00 C +ATOM 14 O UNL A 1 21.552 16.015 -7.654 1.00 0.00 O +ATOM 15 H UNL A 1 23.273 15.615 -9.180 1.00 0.00 H +ATOM 16 C UNL A 1 28.573 20.561 -10.386 1.00 0.00 C +ATOM 17 N UNL A 1 29.107 20.498 -11.567 1.00 0.00 N +ATOM 18 C UNL A 1 29.349 20.469 -9.105 1.00 0.00 C +ATOM 19 N UNL A 1 30.443 20.262 -11.650 1.00 0.00 N +ATOM 20 C UNL A 1 30.630 19.686 -9.282 1.00 0.00 C +ATOM 21 C UNL A 1 31.276 19.910 -10.622 1.00 0.00 C +ATOM 22 H UNL A 1 30.861 20.336 -12.573 1.00 0.00 H +ATOM 23 O UNL A 1 32.474 19.707 -10.811 1.00 0.00 O +CONECT 1 2 2 16 3 +CONECT 2 1 1 +CONECT 3 1 12 12 13 +CONECT 4 6 14 14 5 +CONECT 5 4 7 +CONECT 6 15 8 4 +CONECT 7 9 5 +CONECT 8 6 10 +CONECT 9 10 10 11 7 +CONECT 10 12 8 9 9 +CONECT 11 13 13 9 +CONECT 12 3 3 10 +CONECT 13 3 11 11 +CONECT 14 4 4 +CONECT 15 6 +CONECT 16 17 17 1 18 +CONECT 17 19 16 16 +CONECT 18 16 20 +CONECT 19 22 17 21 +CONECT 20 21 18 +CONECT 21 19 23 23 20 +CONECT 22 19 +CONECT 23 21 21 +MASTER 0 0 0 0 0 0 0 0 23 0 23 0 +END diff --git a/s186678_cmpx.pdb b/s186678_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..e3ec625ed22531e9072922bae280890baaecfaf6 --- /dev/null +++ b/s186678_cmpx.pdb @@ -0,0 +1,1614 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.9 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(Cc3cccc4c3CCN4)cc2CN1 +REMARK SMILES IDX 9 1 8 2 2 3 3 4 22 5 4 6 21 7 5 8 20 9 6 10 19 11 7 12 1 13 +REMARK SMILES IDX 10 15 11 16 15 17 12 18 14 19 16 20 13 21 18 22 17 23 +REMARK H PARENT 22 14 18 24 +COMPND /tmp/tmpm2_9e62a/58239517_s186678_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 C UNL A 1 27.132 20.664 -10.515 1.00 0.00 C +ATOM 2 C UNL A 1 26.274 20.052 -9.436 1.00 0.00 C +ATOM 3 C UNL A 1 22.656 16.698 -7.649 1.00 0.00 C +ATOM 4 C UNL A 1 22.867 17.907 -6.710 1.00 0.00 C +ATOM 5 N UNL A 1 23.657 16.281 -8.473 1.00 0.00 N +ATOM 6 O UNL A 1 24.161 18.319 -6.302 1.00 0.00 O +ATOM 7 C UNL A 1 25.054 16.602 -8.333 1.00 0.00 C +ATOM 8 C UNL A 1 24.832 18.885 -7.350 1.00 0.00 C +ATOM 9 C UNL A 1 25.300 18.078 -8.388 1.00 0.00 C +ATOM 10 C UNL A 1 25.091 20.251 -7.323 1.00 0.00 C +ATOM 11 C UNL A 1 26.011 18.672 -9.438 1.00 0.00 C +ATOM 12 C UNL A 1 25.799 20.838 -8.374 1.00 0.00 C +ATOM 13 O UNL A 1 21.560 16.136 -7.721 1.00 0.00 O +ATOM 14 H UNL A 1 23.409 15.461 -9.012 1.00 0.00 H +ATOM 15 C UNL A 1 28.600 20.332 -10.491 1.00 0.00 C +ATOM 16 C UNL A 1 29.237 19.961 -9.293 1.00 0.00 C +ATOM 17 C UNL A 1 29.416 20.504 -11.607 1.00 0.00 C +ATOM 18 C UNL A 1 30.631 19.808 -9.221 1.00 0.00 C +ATOM 19 C UNL A 1 30.808 20.427 -11.516 1.00 0.00 C +ATOM 20 C UNL A 1 29.058 20.718 -13.038 1.00 0.00 C +ATOM 21 C UNL A 1 31.432 20.057 -10.339 1.00 0.00 C +ATOM 22 N UNL A 1 31.482 20.721 -12.735 1.00 0.00 N +ATOM 23 C UNL A 1 30.388 21.266 -13.567 1.00 0.00 C +ATOM 24 H UNL A 1 31.858 19.851 -13.109 1.00 0.00 H +CONECT 1 15 2 +CONECT 2 1 11 11 12 +CONECT 3 5 13 13 4 +CONECT 4 3 6 +CONECT 5 14 7 3 +CONECT 6 8 4 +CONECT 7 5 9 +CONECT 8 9 9 10 6 +CONECT 9 11 7 8 8 +CONECT 10 12 12 8 +CONECT 11 2 2 9 +CONECT 12 2 10 10 +CONECT 13 3 3 +CONECT 14 5 +CONECT 15 17 17 1 16 +CONECT 16 15 18 18 +CONECT 17 20 19 15 15 +CONECT 18 21 16 16 +CONECT 19 22 17 21 21 +CONECT 20 23 17 +CONECT 21 19 19 18 +CONECT 22 23 24 19 +CONECT 23 20 22 +CONECT 24 22 +MASTER 0 0 0 0 0 0 0 0 24 0 24 0 +END diff --git a/s1873056_cmpx.pdb b/s1873056_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..5a64e02c27f7b5b80860a92fafb34582f2b8ae07 --- /dev/null +++ b/s1873056_cmpx.pdb @@ -0,0 +1,1612 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -9.3 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(C3(c4cccc(F)c4)CC3)cc2CN1 +REMARK SMILES IDX 9 1 17 2 18 3 8 4 2 5 3 6 22 7 4 8 21 9 5 10 20 11 6 12 +REMARK SMILES IDX 19 13 7 14 1 15 10 17 11 18 16 19 12 20 14 21 13 22 15 23 +REMARK H PARENT 22 16 +COMPND /tmp/tmpos7guf09/58242876_s1873056_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 C UNL A 1 27.007 20.924 -10.535 1.00 0.00 C +ATOM 2 C UNL A 1 26.615 22.328 -10.971 1.00 0.00 C +ATOM 3 C UNL A 1 26.311 21.173 -11.869 1.00 0.00 C +ATOM 4 C UNL A 1 26.195 20.251 -9.428 1.00 0.00 C +ATOM 5 C UNL A 1 22.694 16.690 -7.704 1.00 0.00 C +ATOM 6 C UNL A 1 22.871 17.895 -6.760 1.00 0.00 C +ATOM 7 N UNL A 1 23.672 16.367 -8.598 1.00 0.00 N +ATOM 8 O UNL A 1 24.154 18.330 -6.332 1.00 0.00 O +ATOM 9 C UNL A 1 25.058 16.728 -8.469 1.00 0.00 C +ATOM 10 C UNL A 1 24.815 18.951 -7.355 1.00 0.00 C +ATOM 11 C UNL A 1 25.259 18.210 -8.446 1.00 0.00 C +ATOM 12 C UNL A 1 25.092 20.309 -7.250 1.00 0.00 C +ATOM 13 C UNL A 1 25.924 18.870 -9.483 1.00 0.00 C +ATOM 14 C UNL A 1 25.776 20.953 -8.285 1.00 0.00 C +ATOM 15 O UNL A 1 21.638 16.049 -7.734 1.00 0.00 O +ATOM 16 H UNL A 1 23.449 15.540 -9.139 1.00 0.00 H +ATOM 17 C UNL A 1 28.477 20.509 -10.553 1.00 0.00 C +ATOM 18 C UNL A 1 29.243 20.549 -11.732 1.00 0.00 C +ATOM 19 C UNL A 1 29.147 20.191 -9.358 1.00 0.00 C +ATOM 20 C UNL A 1 30.624 20.323 -11.715 1.00 0.00 C +ATOM 21 C UNL A 1 30.522 19.980 -9.344 1.00 0.00 C +ATOM 22 C UNL A 1 31.269 20.053 -10.511 1.00 0.00 C +ATOM 23 F UNL A 1 31.137 19.733 -8.179 1.00 0.00 F +CONECT 1 3 2 17 4 +CONECT 2 3 1 +CONECT 3 2 1 +CONECT 4 1 13 13 14 +CONECT 5 7 15 15 6 +CONECT 6 5 8 +CONECT 7 16 9 5 +CONECT 8 10 6 +CONECT 9 7 11 +CONECT 10 11 11 12 8 +CONECT 11 13 9 10 10 +CONECT 12 14 14 10 +CONECT 13 4 4 11 +CONECT 14 4 12 12 +CONECT 15 5 5 +CONECT 16 7 +CONECT 17 18 18 1 19 +CONECT 18 20 17 17 +CONECT 19 17 21 21 +CONECT 20 18 22 22 +CONECT 21 22 19 19 23 +CONECT 22 20 20 21 +CONECT 23 21 +MASTER 0 0 0 0 0 0 0 0 23 0 23 0 +END diff --git a/s1889528_cmpx.pdb b/s1889528_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..9ea6f9bb95b7b985631f031204fe3af19e13682e --- /dev/null +++ b/s1889528_cmpx.pdb @@ -0,0 +1,1612 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.7 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES C[C@@H](c1ccc2c(c1)CNC(=O)CO2)c1n[nH]c(=O)[nH]1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 8 5 5 6 7 7 6 8 9 9 14 10 10 11 13 12 11 13 +REMARK SMILES IDX 12 15 15 16 16 17 20 18 17 19 18 20 19 23 +REMARK H PARENT 10 14 20 21 17 22 +COMPND /tmp/tmp9djr60m1/65990530_s1889528_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 C UNL A 1 25.473 18.332 -9.339 1.00 0.00 C +ATOM 2 C UNL A 1 25.363 18.159 -7.824 1.00 0.00 C +ATOM 3 C UNL A 1 25.827 19.408 -7.086 1.00 0.00 C +ATOM 4 C UNL A 1 25.368 20.667 -7.507 1.00 0.00 C +ATOM 5 C UNL A 1 26.664 19.343 -5.957 1.00 0.00 C +ATOM 6 C UNL A 1 25.783 21.832 -6.860 1.00 0.00 C +ATOM 7 C UNL A 1 27.084 20.511 -5.295 1.00 0.00 C +ATOM 8 C UNL A 1 26.664 21.747 -5.786 1.00 0.00 C +ATOM 9 C UNL A 1 27.881 20.443 -4.026 1.00 0.00 C +ATOM 10 O UNL A 1 27.057 22.911 -5.183 1.00 0.00 O +ATOM 11 N UNL A 1 29.190 21.048 -4.106 1.00 0.00 N +ATOM 12 C UNL A 1 28.459 23.098 -5.335 1.00 0.00 C +ATOM 13 C UNL A 1 29.403 22.374 -4.369 1.00 0.00 C +ATOM 14 H UNL A 1 29.878 20.697 -3.451 1.00 0.00 H +ATOM 15 O UNL A 1 30.409 22.916 -3.907 1.00 0.00 O +ATOM 16 C UNL A 1 23.964 17.721 -7.451 1.00 0.00 C +ATOM 17 N UNL A 1 23.191 18.320 -6.587 1.00 0.00 N +ATOM 18 N UNL A 1 23.416 16.626 -8.012 1.00 0.00 N +ATOM 19 N UNL A 1 22.044 17.577 -6.604 1.00 0.00 N +ATOM 20 C UNL A 1 22.155 16.535 -7.510 1.00 0.00 C +ATOM 21 H UNL A 1 23.792 16.012 -8.714 1.00 0.00 H +ATOM 22 H UNL A 1 21.217 17.829 -6.080 1.00 0.00 H +ATOM 23 O UNL A 1 21.300 15.722 -7.817 1.00 0.00 O +CONECT 1 2 +CONECT 2 1 16 3 +CONECT 3 2 4 4 5 +CONECT 4 3 3 6 +CONECT 5 3 7 7 +CONECT 6 4 8 8 +CONECT 7 5 5 8 9 +CONECT 8 6 6 7 10 +CONECT 9 7 11 +CONECT 10 8 12 +CONECT 11 13 9 14 +CONECT 12 10 13 +CONECT 13 12 11 15 15 +CONECT 14 11 +CONECT 15 13 13 +CONECT 16 18 2 17 17 +CONECT 17 16 16 19 +CONECT 18 21 20 16 +CONECT 19 20 17 22 +CONECT 20 18 23 23 19 +CONECT 21 18 +CONECT 22 19 +CONECT 23 20 20 +MASTER 0 0 0 0 0 0 0 0 23 0 23 0 +END diff --git a/s1889530_cmpx.pdb b/s1889530_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..5e27d94c19815961bdaf43fbfecf514b3fd3b69d --- /dev/null +++ b/s1889530_cmpx.pdb @@ -0,0 +1,1614 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.5 0.000 0.000 +REMARK CORE C12=CC=CC=C1C3=NC=CN3CCO2 +REMARK SMILES C[C@@H](c1ccc2c(c1)-c1nccn1CCO2)c1n[nH]c(=O)[nH]1 +REMARK SMILES IDX 17 1 18 2 19 3 20 4 21 5 22 6 2 9 1 10 3 11 4 12 8 13 5 14 +REMARK SMILES IDX 7 15 6 16 9 17 16 18 10 19 13 20 15 21 11 22 12 23 14 24 +REMARK H PARENT 19 7 22 8 +COMPND /tmp/tmpeufn3v_4/64739582_s1889530_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 C UNL A 1 24.143 17.197 -7.613 1.00 0.00 C +ATOM 2 N UNL A 1 23.627 18.052 -6.773 1.00 0.00 N +ATOM 3 N UNL A 1 22.307 17.693 -6.706 1.00 0.00 N +ATOM 4 C UNL A 1 22.059 16.597 -7.520 1.00 0.00 C +ATOM 5 O UNL A 1 21.005 16.012 -7.681 1.00 0.00 O +ATOM 6 N UNL A 1 23.255 16.307 -8.102 1.00 0.00 N +ATOM 7 H UNL A 1 21.634 18.174 -6.125 1.00 0.00 H +ATOM 8 H UNL A 1 23.412 15.537 -8.729 1.00 0.00 H +ATOM 9 C UNL A 1 25.590 17.152 -8.059 1.00 0.00 C +ATOM 10 C UNL A 1 25.823 16.058 -9.106 1.00 0.00 C +ATOM 11 C UNL A 1 26.065 18.507 -8.563 1.00 0.00 C +ATOM 12 C UNL A 1 25.695 18.965 -9.838 1.00 0.00 C +ATOM 13 C UNL A 1 26.888 19.322 -7.761 1.00 0.00 C +ATOM 14 C UNL A 1 26.149 20.194 -10.312 1.00 0.00 C +ATOM 15 C UNL A 1 27.316 20.579 -8.213 1.00 0.00 C +ATOM 16 C UNL A 1 26.936 21.004 -9.499 1.00 0.00 C +ATOM 17 C UNL A 1 28.096 21.457 -7.342 1.00 0.00 C +ATOM 18 O UNL A 1 27.431 22.146 -10.070 1.00 0.00 O +ATOM 19 N UNL A 1 29.050 21.134 -6.491 1.00 0.00 N +ATOM 20 N UNL A 1 27.862 22.815 -7.288 1.00 0.00 N +ATOM 21 C UNL A 1 26.962 23.382 -9.514 1.00 0.00 C +ATOM 22 C UNL A 1 29.489 22.321 -5.952 1.00 0.00 C +ATOM 23 C UNL A 1 28.751 23.380 -6.428 1.00 0.00 C +ATOM 24 C UNL A 1 26.783 23.457 -8.001 1.00 0.00 C +CONECT 1 6 9 2 2 +CONECT 2 1 1 3 +CONECT 3 4 2 7 +CONECT 4 6 5 5 3 +CONECT 5 4 4 +CONECT 6 8 1 4 +CONECT 7 3 +CONECT 8 6 +CONECT 9 10 11 1 +CONECT 10 9 +CONECT 11 12 12 9 13 +CONECT 12 14 11 11 +CONECT 13 11 15 15 +CONECT 14 12 16 16 +CONECT 15 16 13 13 17 +CONECT 16 14 14 18 15 +CONECT 17 15 20 19 19 +CONECT 18 21 16 +CONECT 19 17 17 22 +CONECT 20 24 17 23 +CONECT 21 18 24 +CONECT 22 19 23 23 +CONECT 23 20 22 22 +CONECT 24 21 20 +MASTER 0 0 0 0 0 0 0 0 24 0 24 0 +END diff --git a/s1896585_cmpx.pdb b/s1896585_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..a7c893b9ce7e9d7d50f61e513b1d3c62b5d2adc0 --- /dev/null +++ b/s1896585_cmpx.pdb @@ -0,0 +1,1610 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.5 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(-c3cccc(C(F)F)n3)cc2CN1 +REMARK SMILES IDX 9 1 10 2 11 3 12 4 13 5 17 6 8 7 2 8 3 9 21 10 4 11 20 12 +REMARK SMILES IDX 5 13 19 14 6 15 18 16 7 17 1 18 14 20 15 21 16 22 +REMARK H PARENT 21 19 +COMPND /tmp/tmps92vwer1/64742977_s1896585_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 C UNL A 1 27.082 20.463 -10.816 1.00 0.00 C +ATOM 2 C UNL A 1 28.471 20.404 -10.929 1.00 0.00 C +ATOM 3 C UNL A 1 29.095 20.945 -12.049 1.00 0.00 C +ATOM 4 C UNL A 1 28.322 21.540 -13.036 1.00 0.00 C +ATOM 5 C UNL A 1 26.940 21.584 -12.869 1.00 0.00 C +ATOM 6 N UNL A 1 26.320 21.057 -11.774 1.00 0.00 N +ATOM 7 C UNL A 1 26.354 19.911 -9.652 1.00 0.00 C +ATOM 8 C UNL A 1 22.626 16.709 -7.621 1.00 0.00 C +ATOM 9 C UNL A 1 22.872 18.001 -6.821 1.00 0.00 C +ATOM 10 N UNL A 1 23.566 16.265 -8.506 1.00 0.00 N +ATOM 11 O UNL A 1 24.184 18.369 -6.421 1.00 0.00 O +ATOM 12 C UNL A 1 24.979 16.545 -8.422 1.00 0.00 C +ATOM 13 C UNL A 1 24.891 18.857 -7.485 1.00 0.00 C +ATOM 14 C UNL A 1 25.291 18.007 -8.515 1.00 0.00 C +ATOM 15 C UNL A 1 25.255 20.198 -7.484 1.00 0.00 C +ATOM 16 C UNL A 1 26.012 18.544 -9.594 1.00 0.00 C +ATOM 17 C UNL A 1 25.978 20.717 -8.560 1.00 0.00 C +ATOM 18 O UNL A 1 21.551 16.107 -7.551 1.00 0.00 O +ATOM 19 H UNL A 1 23.293 15.393 -8.942 1.00 0.00 H +ATOM 20 C UNL A 1 26.095 22.245 -13.936 1.00 0.00 C +ATOM 21 F UNL A 1 26.230 21.647 -15.156 1.00 0.00 F +ATOM 22 F UNL A 1 24.759 22.195 -13.654 1.00 0.00 F +CONECT 1 6 6 2 7 +CONECT 2 3 3 1 +CONECT 3 4 2 2 +CONECT 4 5 5 3 +CONECT 5 20 4 4 6 +CONECT 6 5 1 1 +CONECT 7 1 16 16 17 +CONECT 8 10 18 18 9 +CONECT 9 8 11 +CONECT 10 19 12 8 +CONECT 11 13 9 +CONECT 12 14 10 +CONECT 13 14 14 15 11 +CONECT 14 16 12 13 13 +CONECT 15 17 17 13 +CONECT 16 7 7 14 +CONECT 17 7 15 15 +CONECT 18 8 8 +CONECT 19 10 +CONECT 20 21 22 5 +CONECT 21 20 +CONECT 22 20 +MASTER 0 0 0 0 0 0 0 0 22 0 22 0 +END diff --git a/s190524_cmpx.pdb b/s190524_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..30539c59b3c740ca779fa46834feaf27e6275b47 --- /dev/null +++ b/s190524_cmpx.pdb @@ -0,0 +1,1612 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.8 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc([C@H]3COc4ccccc4C3)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 19 9 20 10 21 11 22 12 9 14 +REMARK SMILES IDX 10 15 18 16 11 17 17 18 12 19 16 20 13 21 15 22 14 23 +REMARK H PARENT 22 13 +COMPND /tmp/tmp425jw0sv/64747308_s190524_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.697 16.080 -7.627 1.00 0.00 O +ATOM 2 C UNL A 1 22.715 16.774 -7.685 1.00 0.00 C +ATOM 3 C UNL A 1 22.888 18.022 -6.803 1.00 0.00 C +ATOM 4 O UNL A 1 24.180 18.419 -6.365 1.00 0.00 O +ATOM 5 C UNL A 1 24.859 19.043 -7.376 1.00 0.00 C +ATOM 6 C UNL A 1 25.198 20.384 -7.220 1.00 0.00 C +ATOM 7 C UNL A 1 25.933 21.039 -8.212 1.00 0.00 C +ATOM 8 C UNL A 1 26.320 20.365 -9.374 1.00 0.00 C +ATOM 9 C UNL A 1 25.974 19.001 -9.499 1.00 0.00 C +ATOM 10 C UNL A 1 25.271 18.325 -8.494 1.00 0.00 C +ATOM 11 C UNL A 1 25.043 16.846 -8.563 1.00 0.00 C +ATOM 12 N UNL A 1 23.651 16.476 -8.634 1.00 0.00 N +ATOM 13 H UNL A 1 23.430 15.614 -9.117 1.00 0.00 H +ATOM 14 C UNL A 1 27.140 20.987 -10.495 1.00 0.00 C +ATOM 15 C UNL A 1 28.586 20.471 -10.748 1.00 0.00 C +ATOM 16 C UNL A 1 26.336 21.010 -11.802 1.00 0.00 C +ATOM 17 O UNL A 1 28.940 20.234 -12.127 1.00 0.00 O +ATOM 18 C UNL A 1 27.198 21.715 -12.805 1.00 0.00 C +ATOM 19 C UNL A 1 28.506 21.253 -12.933 1.00 0.00 C +ATOM 20 C UNL A 1 26.773 22.813 -13.554 1.00 0.00 C +ATOM 21 C UNL A 1 29.377 21.810 -13.858 1.00 0.00 C +ATOM 22 C UNL A 1 27.666 23.424 -14.435 1.00 0.00 C +ATOM 23 C UNL A 1 28.957 22.915 -14.598 1.00 0.00 C +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 16 15 8 +CONECT 15 17 14 +CONECT 16 18 14 +CONECT 17 19 15 +CONECT 18 20 20 19 16 +CONECT 19 21 21 18 17 +CONECT 20 22 18 18 +CONECT 21 23 19 19 +CONECT 22 23 23 20 +CONECT 23 22 22 21 +MASTER 0 0 0 0 0 0 0 0 23 0 23 0 +END diff --git a/s1924185_cmpx.pdb b/s1924185_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..0a510594aaa2b1fe59e100112a515eb755f766e9 --- /dev/null +++ b/s1924185_cmpx.pdb @@ -0,0 +1,1614 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.7 0.000 0.000 +REMARK CORE C12=CC=CC=C1NCCO2 +REMARK SMILES O=C1COc2ccc([C@H]3COc4ccccc4N3)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 19 9 20 10 21 11 22 12 9 14 +REMARK SMILES IDX 10 15 18 16 11 17 17 18 12 19 16 20 13 21 15 22 14 23 +REMARK H PARENT 22 13 18 24 +COMPND /tmp/tmp2bp6tb5f/66008544_s1924185_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.777 16.100 -7.773 1.00 0.00 O +ATOM 2 C UNL A 1 22.806 16.778 -7.736 1.00 0.00 C +ATOM 3 C UNL A 1 22.945 17.968 -6.769 1.00 0.00 C +ATOM 4 O UNL A 1 24.213 18.422 -6.322 1.00 0.00 O +ATOM 5 C UNL A 1 24.885 19.077 -7.317 1.00 0.00 C +ATOM 6 C UNL A 1 25.179 20.426 -7.144 1.00 0.00 C +ATOM 7 C UNL A 1 25.945 21.103 -8.097 1.00 0.00 C +ATOM 8 C UNL A 1 26.410 20.441 -9.242 1.00 0.00 C +ATOM 9 C UNL A 1 26.111 19.068 -9.383 1.00 0.00 C +ATOM 10 C UNL A 1 25.369 18.375 -8.419 1.00 0.00 C +ATOM 11 C UNL A 1 25.173 16.892 -8.502 1.00 0.00 C +ATOM 12 N UNL A 1 23.789 16.514 -8.644 1.00 0.00 N +ATOM 13 H UNL A 1 23.590 15.684 -9.190 1.00 0.00 H +ATOM 14 C UNL A 1 27.339 21.073 -10.277 1.00 0.00 C +ATOM 15 C UNL A 1 28.808 20.571 -10.330 1.00 0.00 C +ATOM 16 N UNL A 1 26.628 21.022 -11.565 1.00 0.00 N +ATOM 17 O UNL A 1 29.352 20.213 -11.608 1.00 0.00 O +ATOM 18 C UNL A 1 27.485 21.349 -12.634 1.00 0.00 C +ATOM 19 C UNL A 1 28.813 20.915 -12.650 1.00 0.00 C +ATOM 20 C UNL A 1 26.950 21.944 -13.779 1.00 0.00 C +ATOM 21 C UNL A 1 29.611 21.110 -13.776 1.00 0.00 C +ATOM 22 C UNL A 1 27.752 22.168 -14.899 1.00 0.00 C +ATOM 23 C UNL A 1 29.083 21.752 -14.897 1.00 0.00 C +ATOM 24 H UNL A 1 26.294 20.070 -11.731 1.00 0.00 H +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 16 15 8 +CONECT 15 17 14 +CONECT 16 18 24 14 +CONECT 17 19 15 +CONECT 18 20 20 19 16 +CONECT 19 21 21 18 17 +CONECT 20 22 18 18 +CONECT 21 23 19 19 +CONECT 22 23 23 20 +CONECT 23 22 22 21 +CONECT 24 16 +MASTER 0 0 0 0 0 0 0 0 24 0 24 0 +END diff --git a/s1927585_cmpx.pdb b/s1927585_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..1a59f680bbc079ad6f68f969e40b0c2416378463 --- /dev/null +++ b/s1927585_cmpx.pdb @@ -0,0 +1,1612 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.6 0.000 0.000 +REMARK CORE N12CCNCC1=CC=N2 +REMARK SMILES Oc1cc2cc(Cc3cnn4c3CNCC4)ccc2[nH]1 +REMARK SMILES IDX 2 1 3 2 4 3 5 4 6 5 17 6 18 7 19 8 20 9 1 11 7 13 8 14 9 15 +REMARK SMILES IDX 12 16 10 17 11 18 13 19 16 20 14 21 15 22 +REMARK H PARENT 20 10 1 12 14 23 +COMPND /tmp/tmpyn_v98t1/66010206_s1927585_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 C UNL A 1 22.465 16.719 -7.604 1.00 0.00 C +ATOM 2 C UNL A 1 22.599 17.925 -6.956 1.00 0.00 C +ATOM 3 C UNL A 1 23.799 18.535 -7.421 1.00 0.00 C +ATOM 4 C UNL A 1 24.452 19.748 -7.133 1.00 0.00 C +ATOM 5 C UNL A 1 25.672 20.050 -7.772 1.00 0.00 C +ATOM 6 C UNL A 1 26.208 19.151 -8.706 1.00 0.00 C +ATOM 7 C UNL A 1 25.566 17.947 -9.019 1.00 0.00 C +ATOM 8 C UNL A 1 24.364 17.668 -8.356 1.00 0.00 C +ATOM 9 N UNL A 1 23.529 16.581 -8.453 1.00 0.00 N +ATOM 10 H UNL A 1 23.671 15.782 -9.053 1.00 0.00 H +ATOM 11 O UNL A 1 21.548 15.768 -7.537 1.00 0.00 O +ATOM 12 H UNL A 1 20.869 15.975 -8.206 1.00 0.00 H +ATOM 13 C UNL A 1 26.391 21.332 -7.443 1.00 0.00 C +ATOM 14 C UNL A 1 27.350 21.095 -6.325 1.00 0.00 C +ATOM 15 C UNL A 1 27.222 20.354 -5.119 1.00 0.00 C +ATOM 16 C UNL A 1 28.634 21.612 -6.243 1.00 0.00 C +ATOM 17 N UNL A 1 28.294 20.457 -4.326 1.00 0.00 N +ATOM 18 N UNL A 1 29.114 21.259 -5.018 1.00 0.00 N +ATOM 19 C UNL A 1 29.467 22.439 -7.142 1.00 0.00 C +ATOM 20 C UNL A 1 30.308 21.810 -4.416 1.00 0.00 C +ATOM 21 N UNL A 1 30.144 23.479 -6.365 1.00 0.00 N +ATOM 22 C UNL A 1 30.967 22.890 -5.294 1.00 0.00 C +ATOM 23 H UNL A 1 29.428 24.080 -5.956 1.00 0.00 H +CONECT 1 9 11 2 2 +CONECT 2 1 1 3 +CONECT 3 8 8 4 2 +CONECT 4 5 5 3 +CONECT 5 6 13 4 4 +CONECT 6 7 7 5 +CONECT 7 6 6 8 +CONECT 8 7 9 3 3 +CONECT 9 10 8 1 +CONECT 10 9 +CONECT 11 12 1 +CONECT 12 11 +CONECT 13 5 14 +CONECT 14 13 16 16 15 +CONECT 15 14 17 17 +CONECT 16 19 14 14 18 +CONECT 17 15 15 18 +CONECT 18 16 20 17 +CONECT 19 21 16 +CONECT 20 22 18 +CONECT 21 19 23 22 +CONECT 22 21 20 +CONECT 23 21 +MASTER 0 0 0 0 0 0 0 0 23 0 23 0 +END diff --git a/s1927587_cmpx.pdb b/s1927587_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..2eb35425bece139844517c4bf814f8ea95b8fc1a --- /dev/null +++ b/s1927587_cmpx.pdb @@ -0,0 +1,1614 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.6 0.000 0.000 +REMARK CORE N12CCCNCC1=CC=N2 +REMARK SMILES Oc1cc2cc(Cc3cnn4c3CNCCC4)ccc2[nH]1 +REMARK SMILES IDX 2 1 3 2 4 3 5 4 6 5 18 6 19 7 20 8 21 9 1 11 7 13 8 14 9 15 +REMARK SMILES IDX 12 16 10 17 11 18 13 19 17 20 14 21 16 22 15 23 +REMARK H PARENT 21 10 1 12 14 24 +COMPND /tmp/tmpwxbrzw7n/66010208_s1927587_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 C UNL A 1 22.830 16.892 -7.787 1.00 0.00 C +ATOM 2 C UNL A 1 22.942 17.990 -6.960 1.00 0.00 C +ATOM 3 C UNL A 1 23.981 18.816 -7.480 1.00 0.00 C +ATOM 4 C UNL A 1 24.547 20.048 -7.083 1.00 0.00 C +ATOM 5 C UNL A 1 25.588 20.618 -7.843 1.00 0.00 C +ATOM 6 C UNL A 1 26.050 19.951 -8.986 1.00 0.00 C +ATOM 7 C UNL A 1 25.504 18.733 -9.399 1.00 0.00 C +ATOM 8 C UNL A 1 24.470 18.191 -8.624 1.00 0.00 C +ATOM 9 N UNL A 1 23.752 17.027 -8.789 1.00 0.00 N +ATOM 10 H UNL A 1 23.882 16.362 -9.538 1.00 0.00 H +ATOM 11 O UNL A 1 22.039 15.832 -7.759 1.00 0.00 O +ATOM 12 H UNL A 1 22.280 15.274 -8.522 1.00 0.00 H +ATOM 13 C UNL A 1 26.164 21.971 -7.462 1.00 0.00 C +ATOM 14 C UNL A 1 27.609 21.709 -7.228 1.00 0.00 C +ATOM 15 C UNL A 1 28.204 21.187 -6.051 1.00 0.00 C +ATOM 16 C UNL A 1 28.685 21.906 -8.083 1.00 0.00 C +ATOM 17 N UNL A 1 29.498 20.920 -6.209 1.00 0.00 N +ATOM 18 N UNL A 1 29.701 21.187 -7.512 1.00 0.00 N +ATOM 19 C UNL A 1 28.832 22.644 -9.362 1.00 0.00 C +ATOM 20 C UNL A 1 30.769 20.500 -8.210 1.00 0.00 C +ATOM 21 N UNL A 1 28.972 21.803 -10.546 1.00 0.00 N +ATOM 22 C UNL A 1 30.315 19.936 -9.552 1.00 0.00 C +ATOM 23 C UNL A 1 30.206 21.025 -10.616 1.00 0.00 C +ATOM 24 H UNL A 1 28.958 22.427 -11.356 1.00 0.00 H +CONECT 1 9 11 2 2 +CONECT 2 1 1 3 +CONECT 3 8 8 4 2 +CONECT 4 5 5 3 +CONECT 5 6 13 4 4 +CONECT 6 7 7 5 +CONECT 7 6 6 8 +CONECT 8 7 9 3 3 +CONECT 9 10 8 1 +CONECT 10 9 +CONECT 11 12 1 +CONECT 12 11 +CONECT 13 5 14 +CONECT 14 16 13 15 +CONECT 15 14 17 +CONECT 16 19 18 14 +CONECT 17 18 15 +CONECT 18 20 16 17 +CONECT 19 21 16 +CONECT 20 22 18 +CONECT 21 24 23 19 +CONECT 22 23 20 +CONECT 23 21 22 +CONECT 24 21 +MASTER 0 0 0 0 0 0 0 0 24 0 24 0 +END diff --git a/s1933337_cmpx.pdb b/s1933337_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..8f3a1afc8162594ba93f6c5eb531de4567c2aed9 --- /dev/null +++ b/s1933337_cmpx.pdb @@ -0,0 +1,1610 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.5 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc([C@]3(F)CCCNCC3)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 17 9 18 10 19 11 20 12 9 14 +REMARK SMILES IDX 11 15 16 16 12 17 15 18 13 19 14 20 10 21 +REMARK H PARENT 20 13 14 22 +COMPND /tmp/tmpithandip/66013344_s1933337_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.682 16.107 -7.661 1.00 0.00 O +ATOM 2 C UNL A 1 22.724 16.765 -7.682 1.00 0.00 C +ATOM 3 C UNL A 1 22.913 17.994 -6.773 1.00 0.00 C +ATOM 4 O UNL A 1 24.206 18.420 -6.367 1.00 0.00 O +ATOM 5 C UNL A 1 24.864 19.029 -7.400 1.00 0.00 C +ATOM 6 C UNL A 1 25.155 20.386 -7.298 1.00 0.00 C +ATOM 7 C UNL A 1 25.856 21.024 -8.324 1.00 0.00 C +ATOM 8 C UNL A 1 26.281 20.303 -9.454 1.00 0.00 C +ATOM 9 C UNL A 1 25.994 18.927 -9.520 1.00 0.00 C +ATOM 10 C UNL A 1 25.299 18.279 -8.490 1.00 0.00 C +ATOM 11 C UNL A 1 25.072 16.799 -8.515 1.00 0.00 C +ATOM 12 N UNL A 1 23.676 16.445 -8.606 1.00 0.00 N +ATOM 13 H UNL A 1 23.445 15.602 -9.116 1.00 0.00 H +ATOM 14 C UNL A 1 27.071 20.956 -10.593 1.00 0.00 C +ATOM 15 C UNL A 1 28.414 20.224 -10.787 1.00 0.00 C +ATOM 16 C UNL A 1 27.193 22.466 -10.355 1.00 0.00 C +ATOM 17 C UNL A 1 29.102 20.575 -12.107 1.00 0.00 C +ATOM 18 C UNL A 1 27.959 23.210 -11.446 1.00 0.00 C +ATOM 19 C UNL A 1 29.911 21.872 -12.099 1.00 0.00 C +ATOM 20 N UNL A 1 29.393 22.985 -11.311 1.00 0.00 N +ATOM 21 F UNL A 1 26.378 20.818 -11.777 1.00 0.00 F +ATOM 22 H UNL A 1 29.895 23.829 -11.593 1.00 0.00 H +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 21 15 16 8 +CONECT 15 17 14 +CONECT 16 18 14 +CONECT 17 19 15 +CONECT 18 20 16 +CONECT 19 17 20 +CONECT 20 19 22 18 +CONECT 21 14 +CONECT 22 20 +MASTER 0 0 0 0 0 0 0 0 22 0 22 0 +END diff --git a/s1947987_cmpx.pdb b/s1947987_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..553526da35ddc64ad457129cfd06d11c849b9e96 --- /dev/null +++ b/s1947987_cmpx.pdb @@ -0,0 +1,1612 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.6 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(-c3ccn(C4CCCC4)n3)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 19 9 20 10 21 11 22 12 9 14 +REMARK SMILES IDX 10 15 18 16 11 17 12 18 13 19 14 20 17 21 15 22 16 23 +REMARK H PARENT 22 13 +COMPND /tmp/tmp06dwa070/58281871_s1947987_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.579 16.014 -7.613 1.00 0.00 O +ATOM 2 C UNL A 1 22.614 16.681 -7.674 1.00 0.00 C +ATOM 3 C UNL A 1 22.796 17.965 -6.845 1.00 0.00 C +ATOM 4 O UNL A 1 24.079 18.372 -6.388 1.00 0.00 O +ATOM 5 C UNL A 1 24.825 18.890 -7.411 1.00 0.00 C +ATOM 6 C UNL A 1 25.188 20.234 -7.359 1.00 0.00 C +ATOM 7 C UNL A 1 25.981 20.779 -8.373 1.00 0.00 C +ATOM 8 C UNL A 1 26.432 19.982 -9.435 1.00 0.00 C +ATOM 9 C UNL A 1 26.073 18.622 -9.452 1.00 0.00 C +ATOM 10 C UNL A 1 25.282 18.064 -8.436 1.00 0.00 C +ATOM 11 C UNL A 1 24.974 16.601 -8.414 1.00 0.00 C +ATOM 12 N UNL A 1 23.571 16.323 -8.582 1.00 0.00 N +ATOM 13 H UNL A 1 23.331 15.466 -9.065 1.00 0.00 H +ATOM 14 C UNL A 1 27.273 20.528 -10.510 1.00 0.00 C +ATOM 15 C UNL A 1 26.886 21.312 -11.633 1.00 0.00 C +ATOM 16 N UNL A 1 28.600 20.318 -10.532 1.00 0.00 N +ATOM 17 C UNL A 1 28.042 21.554 -12.337 1.00 0.00 C +ATOM 18 N UNL A 1 29.037 20.932 -11.645 1.00 0.00 N +ATOM 19 C UNL A 1 30.434 20.868 -12.014 1.00 0.00 C +ATOM 20 C UNL A 1 30.700 20.117 -13.320 1.00 0.00 C +ATOM 21 C UNL A 1 31.321 20.135 -11.009 1.00 0.00 C +ATOM 22 C UNL A 1 32.174 19.725 -13.255 1.00 0.00 C +ATOM 23 C UNL A 1 32.599 19.865 -11.793 1.00 0.00 C +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 15 16 16 8 +CONECT 15 17 17 14 +CONECT 16 18 14 14 +CONECT 17 18 15 15 +CONECT 18 17 19 16 +CONECT 19 20 18 21 +CONECT 20 22 19 +CONECT 21 19 23 +CONECT 22 20 23 +CONECT 23 22 21 +MASTER 0 0 0 0 0 0 0 0 23 0 23 0 +END diff --git a/s1955604_cmpx.pdb b/s1955604_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..2b98ff2bf764bd69ee8ff2a3e3c8ba7ebf0f798b --- /dev/null +++ b/s1955604_cmpx.pdb @@ -0,0 +1,1610 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.5 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(N3CC[C@@]4(C3)CC4(F)F)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 18 9 19 10 20 11 21 12 9 14 +REMARK SMILES IDX 10 15 13 16 11 17 12 18 14 19 15 20 16 21 17 22 +REMARK H PARENT 21 13 +COMPND /tmp/tmpcoljqvir/66025245_s1955604_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.663 16.089 -7.665 1.00 0.00 O +ATOM 2 C UNL A 1 22.703 16.753 -7.695 1.00 0.00 C +ATOM 3 C UNL A 1 22.878 18.012 -6.827 1.00 0.00 C +ATOM 4 O UNL A 1 24.161 18.429 -6.381 1.00 0.00 O +ATOM 5 C UNL A 1 24.868 19.001 -7.400 1.00 0.00 C +ATOM 6 C UNL A 1 25.217 20.340 -7.305 1.00 0.00 C +ATOM 7 C UNL A 1 25.977 20.932 -8.323 1.00 0.00 C +ATOM 8 C UNL A 1 26.405 20.210 -9.447 1.00 0.00 C +ATOM 9 C UNL A 1 26.026 18.856 -9.503 1.00 0.00 C +ATOM 10 C UNL A 1 25.297 18.234 -8.477 1.00 0.00 C +ATOM 11 C UNL A 1 25.057 16.757 -8.485 1.00 0.00 C +ATOM 12 N UNL A 1 23.666 16.409 -8.601 1.00 0.00 N +ATOM 13 H UNL A 1 23.443 15.547 -9.084 1.00 0.00 H +ATOM 14 N UNL A 1 27.188 20.778 -10.424 1.00 0.00 N +ATOM 15 C UNL A 1 28.585 20.419 -10.658 1.00 0.00 C +ATOM 16 C UNL A 1 26.712 21.750 -11.409 1.00 0.00 C +ATOM 17 C UNL A 1 28.767 20.653 -12.160 1.00 0.00 C +ATOM 18 C UNL A 1 27.783 21.744 -12.461 1.00 0.00 C +ATOM 19 C UNL A 1 28.225 23.014 -13.174 1.00 0.00 C +ATOM 20 C UNL A 1 27.374 22.017 -13.863 1.00 0.00 C +ATOM 21 F UNL A 1 27.877 21.277 -14.905 1.00 0.00 F +ATOM 22 F UNL A 1 26.071 22.334 -14.173 1.00 0.00 F +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 16 15 8 +CONECT 15 17 14 +CONECT 16 18 14 +CONECT 17 18 15 +CONECT 18 20 19 17 16 +CONECT 19 20 18 +CONECT 20 21 22 19 18 +CONECT 21 20 +CONECT 22 20 +MASTER 0 0 0 0 0 0 0 0 22 0 22 0 +END diff --git a/s1971884_cmpx.pdb b/s1971884_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..6132002f38e1a778836eafccb31f01fdd4d3617f --- /dev/null +++ b/s1971884_cmpx.pdb @@ -0,0 +1,1612 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.5 0.000 0.000 +REMARK CORE C12=CC=CC=C1C3=NC=CN3CCO2 +REMARK SMILES O=c1[nH]nc(Cc2ccc3c(c2)-c2nccn2CCO3)[nH]1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 21 6 6 9 7 10 8 11 12 12 9 13 11 14 +REMARK SMILES IDX 10 15 13 16 20 17 14 18 17 19 19 20 15 21 16 22 18 23 +REMARK H PARENT 3 7 21 8 +COMPND /tmp/tmppvlfkcjs/64783321_s1971884_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.073 15.897 -7.677 1.00 0.00 O +ATOM 2 C UNL A 1 22.104 16.530 -7.536 1.00 0.00 C +ATOM 3 N UNL A 1 22.335 17.596 -6.678 1.00 0.00 N +ATOM 4 N UNL A 1 23.620 18.052 -6.812 1.00 0.00 N +ATOM 5 C UNL A 1 24.128 17.272 -7.726 1.00 0.00 C +ATOM 6 N UNL A 1 23.279 16.341 -8.198 1.00 0.00 N +ATOM 7 H UNL A 1 21.665 18.007 -6.041 1.00 0.00 H +ATOM 8 H UNL A 1 23.433 15.630 -8.891 1.00 0.00 H +ATOM 9 C UNL A 1 25.527 17.368 -8.256 1.00 0.00 C +ATOM 10 C UNL A 1 26.079 18.771 -8.203 1.00 0.00 C +ATOM 11 C UNL A 1 25.955 19.614 -9.317 1.00 0.00 C +ATOM 12 C UNL A 1 26.716 19.254 -7.047 1.00 0.00 C +ATOM 13 C UNL A 1 26.497 20.900 -9.296 1.00 0.00 C +ATOM 14 C UNL A 1 27.226 20.559 -7.004 1.00 0.00 C +ATOM 15 C UNL A 1 27.116 21.373 -8.144 1.00 0.00 C +ATOM 16 C UNL A 1 27.810 21.081 -5.767 1.00 0.00 C +ATOM 17 O UNL A 1 27.724 22.596 -8.237 1.00 0.00 O +ATOM 18 N UNL A 1 28.562 20.454 -4.884 1.00 0.00 N +ATOM 19 N UNL A 1 27.568 22.369 -5.346 1.00 0.00 N +ATOM 20 C UNL A 1 27.181 23.641 -7.421 1.00 0.00 C +ATOM 21 C UNL A 1 28.869 21.391 -3.926 1.00 0.00 C +ATOM 22 C UNL A 1 28.249 22.589 -4.190 1.00 0.00 C +ATOM 23 C UNL A 1 26.668 23.269 -6.033 1.00 0.00 C +CONECT 1 2 2 +CONECT 2 6 1 1 3 +CONECT 3 2 4 7 +CONECT 4 5 5 3 +CONECT 5 9 6 4 4 +CONECT 6 8 5 2 +CONECT 7 3 +CONECT 8 6 +CONECT 9 10 5 +CONECT 10 11 11 9 12 +CONECT 11 13 10 10 +CONECT 12 10 14 14 +CONECT 13 11 15 15 +CONECT 14 15 12 12 16 +CONECT 15 13 13 17 14 +CONECT 16 14 19 18 18 +CONECT 17 15 20 +CONECT 18 16 16 21 +CONECT 19 23 16 22 +CONECT 20 17 23 +CONECT 21 18 22 22 +CONECT 22 19 21 21 +CONECT 23 20 19 +MASTER 0 0 0 0 0 0 0 0 23 0 23 0 +END diff --git a/s1974441_cmpx.pdb b/s1974441_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..271c0996318e11ead78082022a43b3f16085b7b8 --- /dev/null +++ b/s1974441_cmpx.pdb @@ -0,0 +1,1612 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -9.0 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(C[C@@H]3CCc4ccccc43)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 19 9 20 10 21 11 22 12 9 14 +REMARK SMILES IDX 10 15 11 16 18 17 12 18 13 19 17 20 14 21 16 22 15 23 +REMARK H PARENT 22 13 +COMPND /tmp/tmpin2cgjqd/66035826_s1974441_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.697 16.103 -7.727 1.00 0.00 O +ATOM 2 C UNL A 1 22.752 16.744 -7.690 1.00 0.00 C +ATOM 3 C UNL A 1 22.899 17.968 -6.774 1.00 0.00 C +ATOM 4 O UNL A 1 24.187 18.341 -6.313 1.00 0.00 O +ATOM 5 C UNL A 1 24.882 18.963 -7.308 1.00 0.00 C +ATOM 6 C UNL A 1 25.141 20.317 -7.181 1.00 0.00 C +ATOM 7 C UNL A 1 25.917 20.949 -8.142 1.00 0.00 C +ATOM 8 C UNL A 1 26.471 20.251 -9.237 1.00 0.00 C +ATOM 9 C UNL A 1 26.207 18.874 -9.334 1.00 0.00 C +ATOM 10 C UNL A 1 25.397 18.224 -8.377 1.00 0.00 C +ATOM 11 C UNL A 1 25.151 16.744 -8.413 1.00 0.00 C +ATOM 12 N UNL A 1 23.754 16.403 -8.550 1.00 0.00 N +ATOM 13 H UNL A 1 23.536 15.556 -9.057 1.00 0.00 H +ATOM 14 C UNL A 1 27.490 21.014 -10.055 1.00 0.00 C +ATOM 15 C UNL A 1 27.897 20.798 -11.524 1.00 0.00 C +ATOM 16 C UNL A 1 29.272 21.185 -12.083 1.00 0.00 C +ATOM 17 C UNL A 1 27.005 21.460 -12.560 1.00 0.00 C +ATOM 18 C UNL A 1 29.107 21.076 -13.618 1.00 0.00 C +ATOM 19 C UNL A 1 27.695 21.558 -13.778 1.00 0.00 C +ATOM 20 C UNL A 1 25.689 21.888 -12.468 1.00 0.00 C +ATOM 21 C UNL A 1 27.071 22.016 -14.927 1.00 0.00 C +ATOM 22 C UNL A 1 25.065 22.398 -13.608 1.00 0.00 C +ATOM 23 C UNL A 1 25.744 22.442 -14.834 1.00 0.00 C +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 15 8 +CONECT 15 17 16 14 +CONECT 16 18 15 +CONECT 17 19 19 20 15 +CONECT 18 19 16 +CONECT 19 21 18 17 17 +CONECT 20 22 22 17 +CONECT 21 23 23 19 +CONECT 22 23 20 20 +CONECT 23 21 21 22 +MASTER 0 0 0 0 0 0 0 0 23 0 23 0 +END diff --git a/s1978598_cmpx.pdb b/s1978598_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..3525669cd9154fd90b6c1f2a6999a825c9b4c75e --- /dev/null +++ b/s1978598_cmpx.pdb @@ -0,0 +1,1612 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.5 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccccc2CN1NCc1ccc(=O)[nH]c1 +REMARK SMILES IDX 13 1 12 3 2 4 3 5 4 6 11 7 5 8 10 9 6 10 9 11 7 12 8 13 1 14 +REMARK SMILES IDX 14 15 15 16 16 17 21 18 17 19 20 20 18 21 19 23 +REMARK H PARENT 13 2 20 22 +COMPND /tmp/tmpcgjz9jt0/58298828_s1978598_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 N UNL A 1 26.717 19.365 -6.315 1.00 0.00 N +ATOM 2 H UNL A 1 25.831 19.417 -5.810 1.00 0.00 H +ATOM 3 N UNL A 1 27.187 20.710 -6.538 1.00 0.00 N +ATOM 4 C UNL A 1 26.316 21.722 -6.115 1.00 0.00 C +ATOM 5 C UNL A 1 25.872 22.741 -7.193 1.00 0.00 C +ATOM 6 O UNL A 1 26.735 23.245 -8.201 1.00 0.00 O +ATOM 7 C UNL A 1 28.249 21.005 -7.495 1.00 0.00 C +ATOM 8 C UNL A 1 26.969 22.312 -9.176 1.00 0.00 C +ATOM 9 C UNL A 1 27.723 21.175 -8.885 1.00 0.00 C +ATOM 10 C UNL A 1 26.526 22.562 -10.471 1.00 0.00 C +ATOM 11 C UNL A 1 27.982 20.245 -9.899 1.00 0.00 C +ATOM 12 C UNL A 1 26.794 21.637 -11.479 1.00 0.00 C +ATOM 13 C UNL A 1 27.513 20.476 -11.192 1.00 0.00 C +ATOM 14 O UNL A 1 25.757 21.705 -5.014 1.00 0.00 O +ATOM 15 C UNL A 1 26.555 18.537 -7.507 1.00 0.00 C +ATOM 16 C UNL A 1 25.180 17.933 -7.637 1.00 0.00 C +ATOM 17 C UNL A 1 24.071 18.555 -6.933 1.00 0.00 C +ATOM 18 C UNL A 1 24.955 16.797 -8.321 1.00 0.00 C +ATOM 19 C UNL A 1 22.854 17.988 -6.922 1.00 0.00 C +ATOM 20 N UNL A 1 23.713 16.216 -8.330 1.00 0.00 N +ATOM 21 C UNL A 1 22.630 16.715 -7.647 1.00 0.00 C +ATOM 22 H UNL A 1 23.557 15.344 -8.820 1.00 0.00 H +ATOM 23 O UNL A 1 21.539 16.148 -7.629 1.00 0.00 O +CONECT 1 15 3 2 +CONECT 2 1 +CONECT 3 7 1 4 +CONECT 4 5 3 14 14 +CONECT 5 6 4 +CONECT 6 8 5 +CONECT 7 9 3 +CONECT 8 10 10 9 6 +CONECT 9 11 11 8 7 +CONECT 10 12 8 8 +CONECT 11 13 9 9 +CONECT 12 13 13 10 +CONECT 13 12 12 11 +CONECT 14 4 4 +CONECT 15 16 1 +CONECT 16 18 18 15 17 +CONECT 17 16 19 19 +CONECT 18 20 16 16 +CONECT 19 21 17 17 +CONECT 20 22 18 21 +CONECT 21 20 23 23 19 +CONECT 22 20 +CONECT 23 21 21 +MASTER 0 0 0 0 0 0 0 0 23 0 23 0 +END diff --git a/s2006938_cmpx.pdb b/s2006938_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..11fc80bbcd96e0c1c670832352c18a1126c30c39 --- /dev/null +++ b/s2006938_cmpx.pdb @@ -0,0 +1,1612 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.6 0.000 0.000 +REMARK CORE N12CCNCC1=CC=N2 +REMARK SMILES O=C1Nc2ccc(-c3cnn4c3CNCC4)cc2C1(F)F +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 17 8 18 9 19 10 20 11 21 12 8 14 +REMARK SMILES IDX 9 15 12 16 10 17 11 18 13 19 16 20 14 21 15 22 +REMARK H PARENT 3 13 14 23 +COMPND /tmp/tmprtwpi11r/58313330_s2006938_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.682 15.792 -7.728 1.00 0.00 O +ATOM 2 C UNL A 1 22.495 16.705 -7.785 1.00 0.00 C +ATOM 3 N UNL A 1 23.394 16.890 -8.837 1.00 0.00 N +ATOM 4 C UNL A 1 24.193 17.998 -8.617 1.00 0.00 C +ATOM 5 C UNL A 1 25.201 18.465 -9.424 1.00 0.00 C +ATOM 6 C UNL A 1 25.900 19.594 -8.985 1.00 0.00 C +ATOM 7 C UNL A 1 25.571 20.263 -7.782 1.00 0.00 C +ATOM 8 C UNL A 1 24.531 19.750 -6.985 1.00 0.00 C +ATOM 9 C UNL A 1 23.859 18.613 -7.414 1.00 0.00 C +ATOM 10 C UNL A 1 22.746 17.848 -6.751 1.00 0.00 C +ATOM 11 F UNL A 1 23.104 17.359 -5.528 1.00 0.00 F +ATOM 12 F UNL A 1 21.633 18.607 -6.549 1.00 0.00 F +ATOM 13 H UNL A 1 23.439 16.272 -9.636 1.00 0.00 H +ATOM 14 C UNL A 1 26.313 21.438 -7.340 1.00 0.00 C +ATOM 15 C UNL A 1 26.344 22.746 -7.894 1.00 0.00 C +ATOM 16 C UNL A 1 27.171 21.520 -6.253 1.00 0.00 C +ATOM 17 N UNL A 1 27.118 23.588 -7.207 1.00 0.00 N +ATOM 18 N UNL A 1 27.579 22.827 -6.204 1.00 0.00 N +ATOM 19 C UNL A 1 27.634 20.553 -5.220 1.00 0.00 C +ATOM 20 C UNL A 1 28.474 23.378 -5.205 1.00 0.00 C +ATOM 21 N UNL A 1 28.814 21.025 -4.486 1.00 0.00 N +ATOM 22 C UNL A 1 28.608 22.409 -4.031 1.00 0.00 C +ATOM 23 H UNL A 1 29.618 20.985 -5.112 1.00 0.00 H +CONECT 1 2 2 +CONECT 2 3 1 1 10 +CONECT 3 13 4 2 +CONECT 4 5 5 3 9 +CONECT 5 6 4 4 +CONECT 6 5 7 7 +CONECT 7 6 6 14 8 +CONECT 8 7 9 9 +CONECT 9 4 8 8 10 +CONECT 10 2 9 12 11 +CONECT 11 10 +CONECT 12 10 +CONECT 13 3 +CONECT 14 15 7 16 16 +CONECT 15 14 17 17 +CONECT 16 14 14 18 19 +CONECT 17 15 15 18 +CONECT 18 17 16 20 +CONECT 19 16 21 +CONECT 20 18 22 +CONECT 21 19 23 22 +CONECT 22 20 21 +CONECT 23 21 +MASTER 0 0 0 0 0 0 0 0 23 0 23 0 +END diff --git a/s2006943_cmpx.pdb b/s2006943_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..5202f5ea3f7ec3bb052af17d408efe0f65f5082d --- /dev/null +++ b/s2006943_cmpx.pdb @@ -0,0 +1,1606 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.6 0.000 0.000 +REMARK CORE O=C1CCCN1 +REMARK SMILES O=C1NCC[C@@H]1c1ccc2c(c1)C(F)(F)C(=O)N2 +REMARK SMILES IDX 7 1 8 2 9 3 10 4 11 5 12 6 13 7 14 8 15 9 16 10 17 11 18 12 +REMARK SMILES IDX 6 14 2 15 3 16 4 17 5 18 1 19 +REMARK H PARENT 18 13 3 20 +COMPND /tmp/tmp33siijdh/58313359_s2006943_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 C UNL A 1 25.721 20.325 -7.940 1.00 0.00 C +ATOM 2 C UNL A 1 25.997 19.686 -9.173 1.00 0.00 C +ATOM 3 C UNL A 1 25.291 18.548 -9.581 1.00 0.00 C +ATOM 4 C UNL A 1 24.320 18.064 -8.732 1.00 0.00 C +ATOM 5 C UNL A 1 24.034 18.668 -7.512 1.00 0.00 C +ATOM 6 C UNL A 1 24.725 19.795 -7.099 1.00 0.00 C +ATOM 7 C UNL A 1 22.937 17.910 -6.815 1.00 0.00 C +ATOM 8 F UNL A 1 23.328 17.422 -5.602 1.00 0.00 F +ATOM 9 F UNL A 1 21.835 18.678 -6.579 1.00 0.00 F +ATOM 10 C UNL A 1 22.648 16.770 -7.839 1.00 0.00 C +ATOM 11 O UNL A 1 21.836 15.860 -7.753 1.00 0.00 O +ATOM 12 N UNL A 1 23.510 16.955 -8.924 1.00 0.00 N +ATOM 13 H UNL A 1 23.519 16.345 -9.728 1.00 0.00 H +ATOM 14 C UNL A 1 26.495 21.535 -7.462 1.00 0.00 C +ATOM 15 C UNL A 1 27.833 21.287 -6.784 1.00 0.00 C +ATOM 16 N UNL A 1 27.941 22.176 -5.729 1.00 0.00 N +ATOM 17 C UNL A 1 26.831 23.076 -5.661 1.00 0.00 C +ATOM 18 C UNL A 1 25.733 22.325 -6.388 1.00 0.00 C +ATOM 19 O UNL A 1 28.702 20.497 -7.109 1.00 0.00 O +ATOM 20 H UNL A 1 28.812 22.263 -5.218 1.00 0.00 H +CONECT 1 2 2 14 6 +CONECT 2 3 1 1 +CONECT 3 2 4 4 +CONECT 4 3 3 12 5 +CONECT 5 4 6 6 7 +CONECT 6 1 5 5 +CONECT 7 10 5 9 8 +CONECT 8 7 +CONECT 9 7 +CONECT 10 12 11 11 7 +CONECT 11 10 10 +CONECT 12 13 4 10 +CONECT 13 12 +CONECT 14 1 15 18 +CONECT 15 14 19 19 16 +CONECT 16 15 17 20 +CONECT 17 18 16 +CONECT 18 14 17 +CONECT 19 15 15 +CONECT 20 16 +MASTER 0 0 0 0 0 0 0 0 20 0 20 0 +END diff --git a/s2006944_cmpx.pdb b/s2006944_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..4ba9eaad2ef3b5f73c6bfbb9d4c0268b50e638e2 --- /dev/null +++ b/s2006944_cmpx.pdb @@ -0,0 +1,1606 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.5 0.000 0.000 +REMARK CORE O=C1CCCN1 +REMARK SMILES O=C1C[C@@H](c2ccc3c(c2)C(F)(F)C(=O)N3)CN1 +REMARK SMILES IDX 5 1 6 2 7 3 8 4 9 5 10 6 11 7 12 8 13 9 14 10 15 11 16 12 +REMARK SMILES IDX 4 14 2 15 3 16 18 17 17 18 1 19 +REMARK H PARENT 16 13 18 20 +COMPND /tmp/tmp_wgi9hzr/64801471_s2006944_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 C UNL A 1 25.780 20.463 -7.928 1.00 0.00 C +ATOM 2 C UNL A 1 26.083 19.854 -9.175 1.00 0.00 C +ATOM 3 C UNL A 1 25.420 18.699 -9.608 1.00 0.00 C +ATOM 4 C UNL A 1 24.458 18.173 -8.777 1.00 0.00 C +ATOM 5 C UNL A 1 24.140 18.753 -7.554 1.00 0.00 C +ATOM 6 C UNL A 1 24.785 19.896 -7.115 1.00 0.00 C +ATOM 7 C UNL A 1 23.063 17.952 -6.877 1.00 0.00 C +ATOM 8 F UNL A 1 23.463 17.461 -5.668 1.00 0.00 F +ATOM 9 F UNL A 1 21.937 18.685 -6.639 1.00 0.00 F +ATOM 10 C UNL A 1 22.819 16.818 -7.918 1.00 0.00 C +ATOM 11 O UNL A 1 22.033 15.886 -7.856 1.00 0.00 O +ATOM 12 N UNL A 1 23.687 17.044 -8.992 1.00 0.00 N +ATOM 13 H UNL A 1 23.724 16.440 -9.802 1.00 0.00 H +ATOM 14 C UNL A 1 26.500 21.712 -7.430 1.00 0.00 C +ATOM 15 C UNL A 1 27.860 21.196 -5.546 1.00 0.00 C +ATOM 16 C UNL A 1 27.958 21.447 -7.029 1.00 0.00 C +ATOM 17 N UNL A 1 26.660 21.707 -5.099 1.00 0.00 N +ATOM 18 C UNL A 1 25.886 22.291 -6.155 1.00 0.00 C +ATOM 19 O UNL A 1 28.696 20.654 -4.845 1.00 0.00 O +ATOM 20 H UNL A 1 26.407 21.677 -4.119 1.00 0.00 H +CONECT 1 2 2 14 6 +CONECT 2 3 1 1 +CONECT 3 2 4 4 +CONECT 4 3 3 12 5 +CONECT 5 4 6 6 7 +CONECT 6 1 5 5 +CONECT 7 10 5 9 8 +CONECT 8 7 +CONECT 9 7 +CONECT 10 12 11 11 7 +CONECT 11 10 10 +CONECT 12 13 4 10 +CONECT 13 12 +CONECT 14 1 16 18 +CONECT 15 16 17 19 19 +CONECT 16 14 15 +CONECT 17 18 15 20 +CONECT 18 14 17 +CONECT 19 15 15 +CONECT 20 17 +MASTER 0 0 0 0 0 0 0 0 20 0 20 0 +END diff --git a/s2018909_cmpx.pdb b/s2018909_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..2c05aaa5b887e708358bcef9d4e8db451b308fcd --- /dev/null +++ b/s2018909_cmpx.pdb @@ -0,0 +1,1614 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.5 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(-c3ncc4c(n3)CCNC4)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 19 9 20 10 21 11 22 12 9 14 +REMARK SMILES IDX 10 15 14 16 11 17 13 18 12 19 15 20 18 21 16 22 17 23 +REMARK H PARENT 22 13 17 24 +COMPND /tmp/tmp8wqhwcz4/58319244_s2018909_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.535 16.118 -7.573 1.00 0.00 O +ATOM 2 C UNL A 1 22.608 16.715 -7.612 1.00 0.00 C +ATOM 3 C UNL A 1 22.834 18.014 -6.809 1.00 0.00 C +ATOM 4 O UNL A 1 24.135 18.401 -6.402 1.00 0.00 O +ATOM 5 C UNL A 1 24.840 18.891 -7.464 1.00 0.00 C +ATOM 6 C UNL A 1 25.169 20.241 -7.485 1.00 0.00 C +ATOM 7 C UNL A 1 25.896 20.757 -8.562 1.00 0.00 C +ATOM 8 C UNL A 1 26.319 19.937 -9.628 1.00 0.00 C +ATOM 9 C UNL A 1 25.995 18.566 -9.555 1.00 0.00 C +ATOM 10 C UNL A 1 25.270 18.033 -8.477 1.00 0.00 C +ATOM 11 C UNL A 1 24.982 16.566 -8.369 1.00 0.00 C +ATOM 12 N UNL A 1 23.576 16.265 -8.462 1.00 0.00 N +ATOM 13 H UNL A 1 23.318 15.387 -8.900 1.00 0.00 H +ATOM 14 C UNL A 1 27.076 20.490 -10.770 1.00 0.00 C +ATOM 15 N UNL A 1 26.409 21.225 -11.679 1.00 0.00 N +ATOM 16 N UNL A 1 28.394 20.220 -10.840 1.00 0.00 N +ATOM 17 C UNL A 1 27.137 21.710 -12.704 1.00 0.00 C +ATOM 18 C UNL A 1 29.082 20.730 -11.889 1.00 0.00 C +ATOM 19 C UNL A 1 28.491 21.496 -12.863 1.00 0.00 C +ATOM 20 C UNL A 1 30.530 20.373 -11.963 1.00 0.00 C +ATOM 21 C UNL A 1 29.222 21.991 -14.062 1.00 0.00 C +ATOM 22 C UNL A 1 31.327 21.059 -13.075 1.00 0.00 C +ATOM 23 N UNL A 1 30.674 21.991 -13.983 1.00 0.00 N +ATOM 24 H UNL A 1 31.066 21.891 -14.920 1.00 0.00 H +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 10 12 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 15 15 16 8 +CONECT 15 17 14 14 +CONECT 16 18 14 +CONECT 17 19 15 +CONECT 18 19 19 20 16 +CONECT 19 21 17 18 18 +CONECT 20 22 22 18 +CONECT 21 23 19 +CONECT 22 23 20 20 +CONECT 23 24 21 22 +CONECT 24 23 +MASTER 0 0 0 0 0 0 0 0 24 0 24 0 +END diff --git a/s2026404_cmpx.pdb b/s2026404_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..a0c7795258b8ace813987179efa604b9c1f2c6db --- /dev/null +++ b/s2026404_cmpx.pdb @@ -0,0 +1,1610 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.5 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(-c3ccnc(C4CC4)c3)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 18 9 19 10 20 11 21 12 9 14 +REMARK SMILES IDX 10 15 17 16 11 17 13 18 12 19 14 20 15 21 16 22 +REMARK H PARENT 21 13 +COMPND /tmp/tmp0f4e99mg/58323099_s2026404_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.530 16.100 -7.602 1.00 0.00 O +ATOM 2 C UNL A 1 22.593 16.723 -7.642 1.00 0.00 C +ATOM 3 C UNL A 1 22.817 17.984 -6.791 1.00 0.00 C +ATOM 4 O UNL A 1 24.120 18.352 -6.360 1.00 0.00 O +ATOM 5 C UNL A 1 24.839 18.878 -7.396 1.00 0.00 C +ATOM 6 C UNL A 1 25.178 20.224 -7.360 1.00 0.00 C +ATOM 7 C UNL A 1 25.919 20.780 -8.407 1.00 0.00 C +ATOM 8 C UNL A 1 26.364 19.996 -9.489 1.00 0.00 C +ATOM 9 C UNL A 1 26.036 18.625 -9.469 1.00 0.00 C +ATOM 10 C UNL A 1 25.274 18.059 -8.434 1.00 0.00 C +ATOM 11 C UNL A 1 24.953 16.596 -8.408 1.00 0.00 C +ATOM 12 N UNL A 1 23.542 16.334 -8.547 1.00 0.00 N +ATOM 13 H UNL A 1 23.276 15.485 -9.028 1.00 0.00 H +ATOM 14 C UNL A 1 27.150 20.577 -10.604 1.00 0.00 C +ATOM 15 C UNL A 1 26.527 21.158 -11.715 1.00 0.00 C +ATOM 16 C UNL A 1 28.554 20.572 -10.603 1.00 0.00 C +ATOM 17 C UNL A 1 27.302 21.669 -12.738 1.00 0.00 C +ATOM 18 C UNL A 1 29.281 21.110 -11.672 1.00 0.00 C +ATOM 19 N UNL A 1 28.649 21.657 -12.737 1.00 0.00 N +ATOM 20 C UNL A 1 30.792 21.121 -11.674 1.00 0.00 C +ATOM 21 C UNL A 1 31.523 19.998 -12.375 1.00 0.00 C +ATOM 22 C UNL A 1 31.599 20.118 -10.883 1.00 0.00 C +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 15 15 16 8 +CONECT 15 17 14 14 +CONECT 16 18 18 14 +CONECT 17 19 19 15 +CONECT 18 19 20 16 16 +CONECT 19 17 17 18 +CONECT 20 21 18 22 +CONECT 21 20 22 +CONECT 22 21 20 +MASTER 0 0 0 0 0 0 0 0 22 0 22 0 +END diff --git a/s2029672_cmpx.pdb b/s2029672_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..8f88766a11b1b7bd00d1e875f0cdc110a7107395 --- /dev/null +++ b/s2029672_cmpx.pdb @@ -0,0 +1,1608 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.4 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(C3=CN4CCC3CC4)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 17 9 18 10 19 11 20 12 9 14 +REMARK SMILES IDX 10 15 14 16 11 17 13 18 15 19 12 20 16 21 +REMARK H PARENT 20 13 +COMPND /tmp/tmptvwiy14w/66063741_s2029672_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.744 16.133 -7.782 1.00 0.00 O +ATOM 2 C UNL A 1 22.764 16.825 -7.772 1.00 0.00 C +ATOM 3 C UNL A 1 22.931 18.000 -6.791 1.00 0.00 C +ATOM 4 O UNL A 1 24.212 18.404 -6.331 1.00 0.00 O +ATOM 5 C UNL A 1 24.900 19.070 -7.306 1.00 0.00 C +ATOM 6 C UNL A 1 25.212 20.411 -7.108 1.00 0.00 C +ATOM 7 C UNL A 1 25.960 21.100 -8.068 1.00 0.00 C +ATOM 8 C UNL A 1 26.409 20.453 -9.227 1.00 0.00 C +ATOM 9 C UNL A 1 26.098 19.093 -9.394 1.00 0.00 C +ATOM 10 C UNL A 1 25.356 18.389 -8.432 1.00 0.00 C +ATOM 11 C UNL A 1 25.109 16.920 -8.571 1.00 0.00 C +ATOM 12 N UNL A 1 23.714 16.598 -8.727 1.00 0.00 N +ATOM 13 H UNL A 1 23.491 15.794 -9.299 1.00 0.00 H +ATOM 14 C UNL A 1 27.238 21.140 -10.222 1.00 0.00 C +ATOM 15 C UNL A 1 27.783 22.363 -10.073 1.00 0.00 C +ATOM 16 C UNL A 1 27.575 20.542 -11.589 1.00 0.00 C +ATOM 17 N UNL A 1 28.515 22.854 -11.171 1.00 0.00 N +ATOM 18 C UNL A 1 29.120 20.526 -11.724 1.00 0.00 C +ATOM 19 C UNL A 1 27.037 21.539 -12.649 1.00 0.00 C +ATOM 20 C UNL A 1 29.671 21.956 -11.493 1.00 0.00 C +ATOM 21 C UNL A 1 27.658 22.936 -12.399 1.00 0.00 C +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 16 15 15 8 +CONECT 15 17 14 14 +CONECT 16 19 18 14 +CONECT 17 21 20 15 +CONECT 18 16 20 +CONECT 19 21 16 +CONECT 20 18 17 +CONECT 21 19 17 +MASTER 0 0 0 0 0 0 0 0 21 0 21 0 +END diff --git a/s2040670_cmpx.pdb b/s2040670_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..6a43a1cbb54d17ba8083b35ea7b7344ae568a598 --- /dev/null +++ b/s2040670_cmpx.pdb @@ -0,0 +1,1612 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.6 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(Cn3cnc4ncncc43)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 19 9 20 10 21 11 22 12 9 14 +REMARK SMILES IDX 10 15 11 16 18 17 12 18 13 19 17 20 14 21 16 22 15 23 +REMARK H PARENT 22 13 +COMPND /tmp/tmpfb13kl3i/58330463_s2040670_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.932 16.114 -7.915 1.00 0.00 O +ATOM 2 C UNL A 1 22.967 16.778 -7.807 1.00 0.00 C +ATOM 3 C UNL A 1 23.039 17.994 -6.862 1.00 0.00 C +ATOM 4 O UNL A 1 24.272 18.491 -6.361 1.00 0.00 O +ATOM 5 C UNL A 1 24.999 19.100 -7.345 1.00 0.00 C +ATOM 6 C UNL A 1 25.238 20.468 -7.250 1.00 0.00 C +ATOM 7 C UNL A 1 26.041 21.098 -8.200 1.00 0.00 C +ATOM 8 C UNL A 1 26.626 20.360 -9.242 1.00 0.00 C +ATOM 9 C UNL A 1 26.372 18.980 -9.319 1.00 0.00 C +ATOM 10 C UNL A 1 25.576 18.336 -8.363 1.00 0.00 C +ATOM 11 C UNL A 1 25.390 16.853 -8.367 1.00 0.00 C +ATOM 12 N UNL A 1 24.024 16.469 -8.612 1.00 0.00 N +ATOM 13 H UNL A 1 23.863 15.627 -9.149 1.00 0.00 H +ATOM 14 C UNL A 1 27.598 21.009 -10.198 1.00 0.00 C +ATOM 15 N UNL A 1 28.923 20.436 -10.025 1.00 0.00 N +ATOM 16 C UNL A 1 29.480 20.075 -8.827 1.00 0.00 C +ATOM 17 C UNL A 1 29.884 20.284 -10.989 1.00 0.00 C +ATOM 18 N UNL A 1 30.752 19.770 -8.953 1.00 0.00 N +ATOM 19 C UNL A 1 31.021 19.919 -10.287 1.00 0.00 C +ATOM 20 C UNL A 1 29.943 20.450 -12.355 1.00 0.00 C +ATOM 21 N UNL A 1 32.224 19.748 -10.864 1.00 0.00 N +ATOM 22 N UNL A 1 31.138 20.284 -12.957 1.00 0.00 N +ATOM 23 C UNL A 1 32.199 19.963 -12.186 1.00 0.00 C +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 15 8 +CONECT 15 17 14 16 +CONECT 16 15 18 +CONECT 17 20 19 15 +CONECT 18 19 19 16 +CONECT 19 17 21 18 18 +CONECT 20 22 22 17 +CONECT 21 23 23 19 +CONECT 22 20 20 23 +CONECT 23 22 21 21 +MASTER 0 0 0 0 0 0 0 0 23 0 23 0 +END diff --git a/s2044262_cmpx.pdb b/s2044262_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..8d6fe52aa94f84df3f6126547374ff9b3916bc8b --- /dev/null +++ b/s2044262_cmpx.pdb @@ -0,0 +1,1610 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -9.2 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(N3CCc4ccccc43)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 18 9 19 10 20 11 21 12 9 14 +REMARK SMILES IDX 10 15 17 16 11 17 12 18 16 19 13 20 15 21 14 22 +REMARK H PARENT 21 13 +COMPND /tmp/tmp1p4g4r8_/66071391_s2044262_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.567 16.051 -7.661 1.00 0.00 O +ATOM 2 C UNL A 1 22.605 16.717 -7.664 1.00 0.00 C +ATOM 3 C UNL A 1 22.801 17.887 -6.687 1.00 0.00 C +ATOM 4 O UNL A 1 24.090 18.344 -6.321 1.00 0.00 O +ATOM 5 C UNL A 1 24.713 18.989 -7.353 1.00 0.00 C +ATOM 6 C UNL A 1 24.991 20.347 -7.209 1.00 0.00 C +ATOM 7 C UNL A 1 25.787 20.997 -8.156 1.00 0.00 C +ATOM 8 C UNL A 1 26.345 20.280 -9.222 1.00 0.00 C +ATOM 9 C UNL A 1 26.012 18.924 -9.374 1.00 0.00 C +ATOM 10 C UNL A 1 25.195 18.265 -8.443 1.00 0.00 C +ATOM 11 C UNL A 1 24.944 16.792 -8.540 1.00 0.00 C +ATOM 12 N UNL A 1 23.543 16.451 -8.617 1.00 0.00 N +ATOM 13 H UNL A 1 23.299 15.639 -9.169 1.00 0.00 H +ATOM 14 N UNL A 1 27.341 20.819 -10.059 1.00 0.00 N +ATOM 15 C UNL A 1 26.963 20.769 -11.499 1.00 0.00 C +ATOM 16 C UNL A 1 28.722 20.472 -10.098 1.00 0.00 C +ATOM 17 C UNL A 1 28.221 21.087 -12.319 1.00 0.00 C +ATOM 18 C UNL A 1 29.276 20.623 -11.375 1.00 0.00 C +ATOM 19 C UNL A 1 29.523 20.104 -9.032 1.00 0.00 C +ATOM 20 C UNL A 1 30.621 20.414 -11.622 1.00 0.00 C +ATOM 21 C UNL A 1 30.887 19.885 -9.264 1.00 0.00 C +ATOM 22 C UNL A 1 31.430 20.038 -10.551 1.00 0.00 C +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 15 16 8 +CONECT 15 17 14 +CONECT 16 18 18 14 19 +CONECT 17 15 18 +CONECT 18 17 20 16 16 +CONECT 19 16 21 21 +CONECT 20 18 22 22 +CONECT 21 22 19 19 +CONECT 22 20 20 21 +MASTER 0 0 0 0 0 0 0 0 22 0 22 0 +END diff --git a/s2046546_cmpx.pdb b/s2046546_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..01b0761d800dba805b61facc1958cd14d18524d2 --- /dev/null +++ b/s2046546_cmpx.pdb @@ -0,0 +1,1612 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.8 0.000 0.000 +REMARK CORE C12=CC=CC=C1C=CC=N2 +REMARK SMILES O=C1NCC[C@@H]1c1ccc2nc3[nH]c(=O)[nH]c3cc2c1 +REMARK SMILES IDX 7 1 8 2 9 3 10 4 11 5 12 6 13 7 14 8 15 9 16 10 17 11 18 12 +REMARK SMILES IDX 19 13 20 14 6 17 2 18 3 19 4 20 5 21 1 22 +REMARK H PARENT 13 15 16 16 3 23 +COMPND /tmp/tmp647jrwab/64821753_s2046546_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 C UNL A 1 27.913 20.568 -8.697 1.00 0.00 C +ATOM 2 C UNL A 1 27.211 21.464 -7.885 1.00 0.00 C +ATOM 3 C UNL A 1 25.988 21.094 -7.305 1.00 0.00 C +ATOM 4 C UNL A 1 25.417 19.850 -7.522 1.00 0.00 C +ATOM 5 N UNL A 1 24.197 19.580 -7.009 1.00 0.00 N +ATOM 6 C UNL A 1 23.708 18.379 -7.323 1.00 0.00 C +ATOM 7 N UNL A 1 22.451 17.882 -7.014 1.00 0.00 N +ATOM 8 C UNL A 1 22.306 16.616 -7.589 1.00 0.00 C +ATOM 9 O UNL A 1 21.318 15.907 -7.560 1.00 0.00 O +ATOM 10 N UNL A 1 23.517 16.322 -8.233 1.00 0.00 N +ATOM 11 C UNL A 1 24.358 17.415 -8.079 1.00 0.00 C +ATOM 12 C UNL A 1 25.606 17.653 -8.583 1.00 0.00 C +ATOM 13 C UNL A 1 26.150 18.919 -8.324 1.00 0.00 C +ATOM 14 C UNL A 1 27.380 19.285 -8.885 1.00 0.00 C +ATOM 15 H UNL A 1 21.741 18.382 -6.509 1.00 0.00 H +ATOM 16 H UNL A 1 23.684 15.481 -8.761 1.00 0.00 H +ATOM 17 C UNL A 1 29.159 20.945 -9.464 1.00 0.00 C +ATOM 18 C UNL A 1 29.073 20.981 -10.980 1.00 0.00 C +ATOM 19 N UNL A 1 30.243 20.437 -11.482 1.00 0.00 N +ATOM 20 C UNL A 1 31.173 20.096 -10.451 1.00 0.00 C +ATOM 21 C UNL A 1 30.292 19.931 -9.230 1.00 0.00 C +ATOM 22 O UNL A 1 28.183 21.449 -11.666 1.00 0.00 O +ATOM 23 H UNL A 1 30.443 20.478 -12.475 1.00 0.00 H +CONECT 1 17 14 14 2 +CONECT 2 1 3 3 +CONECT 3 2 2 4 +CONECT 4 13 13 3 5 +CONECT 5 4 6 6 +CONECT 6 11 7 5 5 +CONECT 7 8 6 15 +CONECT 8 10 9 9 7 +CONECT 9 8 8 +CONECT 10 16 11 8 +CONECT 11 12 12 10 6 +CONECT 12 13 11 11 +CONECT 13 14 12 4 4 +CONECT 14 1 1 13 +CONECT 15 7 +CONECT 16 10 +CONECT 17 18 21 1 +CONECT 18 22 22 19 17 +CONECT 19 23 18 20 +CONECT 20 19 21 +CONECT 21 20 17 +CONECT 22 18 18 +CONECT 23 19 +MASTER 0 0 0 0 0 0 0 0 23 0 23 0 +END diff --git a/s2046547_cmpx.pdb b/s2046547_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..eb3ee428b0b05db033e185497d7eab0abbe915c6 --- /dev/null +++ b/s2046547_cmpx.pdb @@ -0,0 +1,1612 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.9 0.000 0.000 +REMARK CORE C12=CC=CC=C1C=CC=N2 +REMARK SMILES O=C1C[C@@H](c2ccc3nc4[nH]c(=O)[nH]c4cc3c2)CN1 +REMARK SMILES IDX 5 1 6 2 7 3 8 4 9 5 10 6 11 7 12 8 13 9 14 10 15 11 16 12 +REMARK SMILES IDX 17 13 18 14 4 17 2 18 3 19 20 20 19 21 1 22 +REMARK H PARENT 11 15 14 16 20 23 +COMPND /tmp/tmp5lqrf03n/66072704_s2046547_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 C UNL A 1 27.516 21.239 -9.152 1.00 0.00 C +ATOM 2 C UNL A 1 26.951 21.937 -8.078 1.00 0.00 C +ATOM 3 C UNL A 1 25.878 21.397 -7.356 1.00 0.00 C +ATOM 4 C UNL A 1 25.329 20.167 -7.672 1.00 0.00 C +ATOM 5 N UNL A 1 24.252 19.734 -6.983 1.00 0.00 N +ATOM 6 C UNL A 1 23.766 18.560 -7.385 1.00 0.00 C +ATOM 7 N UNL A 1 22.631 17.921 -6.906 1.00 0.00 N +ATOM 8 C UNL A 1 22.435 16.742 -7.629 1.00 0.00 C +ATOM 9 O UNL A 1 21.518 15.950 -7.501 1.00 0.00 O +ATOM 10 N UNL A 1 23.488 16.649 -8.550 1.00 0.00 N +ATOM 11 C UNL A 1 24.287 17.774 -8.401 1.00 0.00 C +ATOM 12 C UNL A 1 25.392 18.180 -9.096 1.00 0.00 C +ATOM 13 C UNL A 1 25.926 19.429 -8.742 1.00 0.00 C +ATOM 14 C UNL A 1 27.010 19.967 -9.453 1.00 0.00 C +ATOM 15 H UNL A 1 22.028 18.278 -6.187 1.00 0.00 H +ATOM 16 H UNL A 1 23.584 15.904 -9.221 1.00 0.00 H +ATOM 17 C UNL A 1 28.615 21.825 -10.027 1.00 0.00 C +ATOM 18 C UNL A 1 30.600 20.495 -10.044 1.00 0.00 C +ATOM 19 C UNL A 1 29.366 20.779 -10.862 1.00 0.00 C +ATOM 20 N UNL A 1 30.733 21.484 -9.095 1.00 0.00 N +ATOM 21 C UNL A 1 29.726 22.494 -9.211 1.00 0.00 C +ATOM 22 O UNL A 1 31.379 19.573 -10.207 1.00 0.00 O +ATOM 23 H UNL A 1 31.545 21.518 -8.490 1.00 0.00 H +CONECT 1 17 14 14 2 +CONECT 2 1 3 3 +CONECT 3 2 2 4 +CONECT 4 13 13 3 5 +CONECT 5 4 6 6 +CONECT 6 11 5 5 7 +CONECT 7 8 6 15 +CONECT 8 10 9 9 7 +CONECT 9 8 8 +CONECT 10 16 11 8 +CONECT 11 12 12 10 6 +CONECT 12 13 11 11 +CONECT 13 14 12 4 4 +CONECT 14 1 1 13 +CONECT 15 7 +CONECT 16 10 +CONECT 17 19 21 1 +CONECT 18 19 22 22 20 +CONECT 19 18 17 +CONECT 20 18 21 23 +CONECT 21 17 20 +CONECT 22 18 18 +CONECT 23 20 +MASTER 0 0 0 0 0 0 0 0 23 0 23 0 +END diff --git a/s2058458_cmpx.pdb b/s2058458_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..ae29fc08349539e9f18bd5b8bc4e08879446dc70 --- /dev/null +++ b/s2058458_cmpx.pdb @@ -0,0 +1,1604 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.5 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc([C@H]3C=CCCC3)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 15 9 16 10 17 11 18 12 9 14 +REMARK SMILES IDX 10 15 14 16 11 17 13 18 12 19 +REMARK H PARENT 18 13 +COMPND /tmp/tmpnmg1g9wb/64827916_s2058458_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.728 16.121 -7.796 1.00 0.00 O +ATOM 2 C UNL A 1 22.749 16.810 -7.758 1.00 0.00 C +ATOM 3 C UNL A 1 22.879 18.004 -6.795 1.00 0.00 C +ATOM 4 O UNL A 1 24.143 18.415 -6.294 1.00 0.00 O +ATOM 5 C UNL A 1 24.869 19.058 -7.259 1.00 0.00 C +ATOM 6 C UNL A 1 25.153 20.409 -7.091 1.00 0.00 C +ATOM 7 C UNL A 1 25.930 21.075 -8.041 1.00 0.00 C +ATOM 8 C UNL A 1 26.443 20.388 -9.154 1.00 0.00 C +ATOM 9 C UNL A 1 26.159 19.019 -9.292 1.00 0.00 C +ATOM 10 C UNL A 1 25.379 18.344 -8.344 1.00 0.00 C +ATOM 11 C UNL A 1 25.128 16.873 -8.450 1.00 0.00 C +ATOM 12 N UNL A 1 23.738 16.561 -8.667 1.00 0.00 N +ATOM 13 H UNL A 1 23.534 15.749 -9.236 1.00 0.00 H +ATOM 14 C UNL A 1 27.317 21.079 -10.188 1.00 0.00 C +ATOM 15 C UNL A 1 28.766 20.653 -10.100 1.00 0.00 C +ATOM 16 C UNL A 1 26.736 20.909 -11.607 1.00 0.00 C +ATOM 17 C UNL A 1 29.532 20.435 -11.180 1.00 0.00 C +ATOM 18 C UNL A 1 27.725 21.390 -12.667 1.00 0.00 C +ATOM 19 C UNL A 1 29.044 20.618 -12.585 1.00 0.00 C +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 16 15 8 +CONECT 15 17 17 14 +CONECT 16 18 14 +CONECT 17 19 15 15 +CONECT 18 19 16 +CONECT 19 18 17 +MASTER 0 0 0 0 0 0 0 0 19 0 19 0 +END diff --git a/s206351_cmpx.pdb b/s206351_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..fbb1414c9576a1f2821520f135a2de1ae3b6ea89 --- /dev/null +++ b/s206351_cmpx.pdb @@ -0,0 +1,1608 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.9 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=c1[nH]cc(-c2ccc3c(c2)CNCCO3)cc1F +REMARK SMILES IDX 6 1 7 2 8 3 9 4 10 5 11 6 12 7 13 8 14 9 15 10 16 11 5 13 +REMARK SMILES IDX 2 14 3 15 18 16 4 17 17 18 1 19 19 21 +REMARK H PARENT 13 12 3 20 +COMPND /tmp/tmplrtm3yvo/58342400_s206351_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 C UNL A 1 26.166 19.005 -7.502 1.00 0.00 C +ATOM 2 C UNL A 1 26.895 19.302 -8.654 1.00 0.00 C +ATOM 3 C UNL A 1 27.997 20.152 -8.577 1.00 0.00 C +ATOM 4 C UNL A 1 28.381 20.731 -7.360 1.00 0.00 C +ATOM 5 C UNL A 1 27.710 20.396 -6.175 1.00 0.00 C +ATOM 6 C UNL A 1 26.590 19.542 -6.274 1.00 0.00 C +ATOM 7 C UNL A 1 28.038 20.943 -4.803 1.00 0.00 C +ATOM 8 N UNL A 1 29.458 21.029 -4.474 1.00 0.00 N +ATOM 9 C UNL A 1 30.207 22.034 -5.232 1.00 0.00 C +ATOM 10 C UNL A 1 29.534 22.599 -6.483 1.00 0.00 C +ATOM 11 O UNL A 1 29.432 21.595 -7.489 1.00 0.00 O +ATOM 12 H UNL A 1 29.885 20.112 -4.601 1.00 0.00 H +ATOM 13 C UNL A 1 24.933 18.196 -7.561 1.00 0.00 C +ATOM 14 C UNL A 1 22.601 16.569 -7.705 1.00 0.00 C +ATOM 15 N UNL A 1 23.775 16.292 -8.375 1.00 0.00 N +ATOM 16 C UNL A 1 22.625 17.809 -6.889 1.00 0.00 C +ATOM 17 C UNL A 1 24.904 17.074 -8.306 1.00 0.00 C +ATOM 18 C UNL A 1 23.724 18.565 -6.832 1.00 0.00 C +ATOM 19 O UNL A 1 21.615 15.842 -7.784 1.00 0.00 O +ATOM 20 H UNL A 1 23.768 15.445 -8.936 1.00 0.00 H +ATOM 21 F UNL A 1 21.503 18.130 -6.220 1.00 0.00 F +CONECT 1 2 2 13 6 +CONECT 2 3 1 1 +CONECT 3 2 4 4 +CONECT 4 3 3 11 5 +CONECT 5 4 6 6 7 +CONECT 6 1 5 5 +CONECT 7 5 8 +CONECT 8 9 7 12 +CONECT 9 10 8 +CONECT 10 11 9 +CONECT 11 4 10 +CONECT 12 8 +CONECT 13 17 17 1 18 +CONECT 14 15 19 19 16 +CONECT 15 20 17 14 +CONECT 16 14 18 18 21 +CONECT 17 15 13 13 +CONECT 18 13 16 16 +CONECT 19 14 14 +CONECT 20 15 +CONECT 21 16 +MASTER 0 0 0 0 0 0 0 0 21 0 21 0 +END diff --git a/s206365_cmpx.pdb b/s206365_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..1f64ad999fc7f6a7096db7fbeeebdc314f927c85 --- /dev/null +++ b/s206365_cmpx.pdb @@ -0,0 +1,1604 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.5 0.000 0.000 +REMARK CORE N12CCNCC1=CC=N2 +REMARK SMILES O=c1[nH]cc(-c2cnn3c2CNCC3)cc1F +REMARK SMILES IDX 6 1 7 2 8 3 9 4 10 5 11 6 12 7 13 8 14 9 5 11 2 12 3 13 +REMARK SMILES IDX 16 14 4 15 15 16 1 17 17 19 +REMARK H PARENT 12 10 3 18 +COMPND /tmp/tmp3h0mpfwk/66081535_s206365_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 C UNL A 1 26.112 18.984 -7.629 1.00 0.00 C +ATOM 2 C UNL A 1 26.837 19.417 -6.499 1.00 0.00 C +ATOM 3 N UNL A 1 27.917 20.131 -6.832 1.00 0.00 N +ATOM 4 N UNL A 1 27.883 20.132 -8.177 1.00 0.00 N +ATOM 5 C UNL A 1 26.800 19.489 -8.712 1.00 0.00 C +ATOM 6 C UNL A 1 26.608 19.400 -10.183 1.00 0.00 C +ATOM 7 N UNL A 1 27.407 20.400 -10.905 1.00 0.00 N +ATOM 8 C UNL A 1 28.798 20.399 -10.423 1.00 0.00 C +ATOM 9 C UNL A 1 28.899 20.814 -8.953 1.00 0.00 C +ATOM 10 H UNL A 1 26.992 21.318 -10.748 1.00 0.00 H +ATOM 11 C UNL A 1 24.937 18.182 -7.674 1.00 0.00 C +ATOM 12 C UNL A 1 22.596 16.551 -7.684 1.00 0.00 C +ATOM 13 N UNL A 1 23.750 16.247 -8.380 1.00 0.00 N +ATOM 14 C UNL A 1 22.645 17.833 -6.932 1.00 0.00 C +ATOM 15 C UNL A 1 24.881 17.031 -8.374 1.00 0.00 C +ATOM 16 C UNL A 1 23.747 18.593 -6.938 1.00 0.00 C +ATOM 17 O UNL A 1 21.617 15.816 -7.692 1.00 0.00 O +ATOM 18 H UNL A 1 23.731 15.379 -8.902 1.00 0.00 H +ATOM 19 F UNL A 1 21.536 18.193 -6.257 1.00 0.00 F +CONECT 1 5 5 11 2 +CONECT 2 1 3 3 +CONECT 3 4 2 2 +CONECT 4 9 5 3 +CONECT 5 6 4 1 1 +CONECT 6 7 5 +CONECT 7 10 8 6 +CONECT 8 7 9 +CONECT 9 8 4 +CONECT 10 7 +CONECT 11 15 15 1 16 +CONECT 12 13 17 17 14 +CONECT 13 18 15 12 +CONECT 14 12 16 16 19 +CONECT 15 13 11 11 +CONECT 16 11 14 14 +CONECT 17 12 12 +CONECT 18 13 +CONECT 19 14 +MASTER 0 0 0 0 0 0 0 0 19 0 19 0 +END diff --git a/s2085216_cmpx.pdb b/s2085216_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..35fbafb28f4af27a3c753a18174623ac14d5f228 --- /dev/null +++ b/s2085216_cmpx.pdb @@ -0,0 +1,1612 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -9.2 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(-c3ncnc4c3CCCC4)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 19 9 20 10 21 11 22 12 9 14 +REMARK SMILES IDX 10 15 14 16 11 17 13 18 15 19 12 20 18 21 16 22 17 23 +REMARK H PARENT 22 13 +COMPND /tmp/tmpw6yct5a9/66092774_s2085216_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.619 16.112 -7.681 1.00 0.00 O +ATOM 2 C UNL A 1 22.693 16.710 -7.657 1.00 0.00 C +ATOM 3 C UNL A 1 22.898 17.960 -6.774 1.00 0.00 C +ATOM 4 O UNL A 1 24.186 18.405 -6.355 1.00 0.00 O +ATOM 5 C UNL A 1 24.882 18.936 -7.405 1.00 0.00 C +ATOM 6 C UNL A 1 25.194 20.292 -7.389 1.00 0.00 C +ATOM 7 C UNL A 1 25.915 20.846 -8.457 1.00 0.00 C +ATOM 8 C UNL A 1 26.328 20.051 -9.537 1.00 0.00 C +ATOM 9 C UNL A 1 25.982 18.688 -9.525 1.00 0.00 C +ATOM 10 C UNL A 1 25.311 18.111 -8.441 1.00 0.00 C +ATOM 11 C UNL A 1 25.077 16.636 -8.365 1.00 0.00 C +ATOM 12 N UNL A 1 23.686 16.295 -8.499 1.00 0.00 N +ATOM 13 H UNL A 1 23.452 15.450 -8.991 1.00 0.00 H +ATOM 14 C UNL A 1 27.073 20.617 -10.678 1.00 0.00 C +ATOM 15 N UNL A 1 26.277 21.148 -11.635 1.00 0.00 N +ATOM 16 C UNL A 1 28.467 20.542 -10.808 1.00 0.00 C +ATOM 17 C UNL A 1 26.884 21.562 -12.748 1.00 0.00 C +ATOM 18 C UNL A 1 28.976 20.972 -12.021 1.00 0.00 C +ATOM 19 C UNL A 1 29.367 20.121 -9.683 1.00 0.00 C +ATOM 20 N UNL A 1 28.196 21.481 -13.000 1.00 0.00 N +ATOM 21 C UNL A 1 30.419 20.784 -12.391 1.00 0.00 C +ATOM 22 C UNL A 1 30.831 19.857 -10.018 1.00 0.00 C +ATOM 23 C UNL A 1 31.393 20.560 -11.244 1.00 0.00 C +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 15 15 16 8 +CONECT 15 17 14 14 +CONECT 16 18 18 14 19 +CONECT 17 20 20 15 +CONECT 18 20 21 16 16 +CONECT 19 16 22 22 +CONECT 20 17 17 18 +CONECT 21 18 23 23 +CONECT 22 23 19 19 +CONECT 23 21 21 22 +MASTER 0 0 0 0 0 0 0 0 23 0 23 0 +END diff --git a/s2088466_cmpx.pdb b/s2088466_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..a5045af3b0b195ab66c627a4083ec9801162890b --- /dev/null +++ b/s2088466_cmpx.pdb @@ -0,0 +1,1610 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.7 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(C3(c4cccnn4)CC3)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 18 9 19 10 20 11 21 12 9 14 +REMARK SMILES IDX 16 15 17 16 10 17 11 18 15 19 12 20 14 21 13 22 +REMARK H PARENT 21 13 +COMPND /tmp/tmpfjaoanzh/64843404_s2088466_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.789 16.131 -7.771 1.00 0.00 O +ATOM 2 C UNL A 1 22.858 16.743 -7.719 1.00 0.00 C +ATOM 3 C UNL A 1 23.043 17.950 -6.776 1.00 0.00 C +ATOM 4 O UNL A 1 24.322 18.385 -6.335 1.00 0.00 O +ATOM 5 C UNL A 1 25.020 18.969 -7.355 1.00 0.00 C +ATOM 6 C UNL A 1 25.282 20.335 -7.304 1.00 0.00 C +ATOM 7 C UNL A 1 25.959 20.949 -8.360 1.00 0.00 C +ATOM 8 C UNL A 1 26.386 20.208 -9.475 1.00 0.00 C +ATOM 9 C UNL A 1 26.163 18.817 -9.461 1.00 0.00 C +ATOM 10 C UNL A 1 25.489 18.189 -8.410 1.00 0.00 C +ATOM 11 C UNL A 1 25.248 16.713 -8.417 1.00 0.00 C +ATOM 12 N UNL A 1 23.854 16.389 -8.582 1.00 0.00 N +ATOM 13 H UNL A 1 23.624 15.573 -9.134 1.00 0.00 H +ATOM 14 C UNL A 1 26.920 20.863 -10.746 1.00 0.00 C +ATOM 15 C UNL A 1 26.458 22.289 -11.031 1.00 0.00 C +ATOM 16 C UNL A 1 26.003 21.174 -11.915 1.00 0.00 C +ATOM 17 C UNL A 1 28.379 20.490 -11.017 1.00 0.00 C +ATOM 18 C UNL A 1 29.295 20.398 -9.968 1.00 0.00 C +ATOM 19 N UNL A 1 28.818 20.420 -12.296 1.00 0.00 N +ATOM 20 C UNL A 1 30.653 20.306 -10.244 1.00 0.00 C +ATOM 21 N UNL A 1 30.155 20.308 -12.576 1.00 0.00 N +ATOM 22 C UNL A 1 31.041 20.276 -11.565 1.00 0.00 C +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 16 15 17 8 +CONECT 15 16 14 +CONECT 16 15 14 +CONECT 17 19 19 14 18 +CONECT 18 17 20 20 +CONECT 19 21 17 17 +CONECT 20 22 18 18 +CONECT 21 19 22 22 +CONECT 22 21 21 20 +MASTER 0 0 0 0 0 0 0 0 22 0 22 0 +END diff --git a/s2148049_cmpx.pdb b/s2148049_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..9b850bb5dcbc8ca8e60ea16b8548b81c525d6c33 --- /dev/null +++ b/s2148049_cmpx.pdb @@ -0,0 +1,1610 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.5 0.000 0.000 +REMARK CORE C1COCCN1 +REMARK SMILES O=C1COc2ccc(N3CCO[C@@H]4CCC[C@H]43)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 18 9 19 10 20 11 21 12 9 14 +REMARK SMILES IDX 10 15 17 16 11 17 13 18 16 19 12 20 14 21 15 22 +REMARK H PARENT 21 13 +COMPND /tmp/tmp9077l2bp/58385513_s2148049_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.746 16.153 -7.819 1.00 0.00 O +ATOM 2 C UNL A 1 22.813 16.770 -7.742 1.00 0.00 C +ATOM 3 C UNL A 1 22.978 17.958 -6.776 1.00 0.00 C +ATOM 4 O UNL A 1 24.251 18.388 -6.317 1.00 0.00 O +ATOM 5 C UNL A 1 24.951 18.995 -7.322 1.00 0.00 C +ATOM 6 C UNL A 1 25.236 20.353 -7.224 1.00 0.00 C +ATOM 7 C UNL A 1 25.976 20.985 -8.232 1.00 0.00 C +ATOM 8 C UNL A 1 26.456 20.264 -9.331 1.00 0.00 C +ATOM 9 C UNL A 1 26.195 18.884 -9.364 1.00 0.00 C +ATOM 10 C UNL A 1 25.443 18.239 -8.380 1.00 0.00 C +ATOM 11 C UNL A 1 25.207 16.764 -8.429 1.00 0.00 C +ATOM 12 N UNL A 1 23.815 16.435 -8.604 1.00 0.00 N +ATOM 13 H UNL A 1 23.590 15.621 -9.162 1.00 0.00 H +ATOM 14 N UNL A 1 27.231 20.804 -10.344 1.00 0.00 N +ATOM 15 C UNL A 1 26.619 21.019 -11.679 1.00 0.00 C +ATOM 16 C UNL A 1 28.621 20.327 -10.515 1.00 0.00 C +ATOM 17 C UNL A 1 27.484 22.025 -12.483 1.00 0.00 C +ATOM 18 C UNL A 1 29.378 21.468 -11.217 1.00 0.00 C +ATOM 19 C UNL A 1 29.499 20.073 -9.304 1.00 0.00 C +ATOM 20 O UNL A 1 28.883 21.650 -12.547 1.00 0.00 O +ATOM 21 C UNL A 1 30.824 21.014 -11.154 1.00 0.00 C +ATOM 22 C UNL A 1 30.932 20.253 -9.827 1.00 0.00 C +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 15 16 8 +CONECT 15 17 14 +CONECT 16 18 14 19 +CONECT 17 20 15 +CONECT 18 20 21 16 +CONECT 19 16 22 +CONECT 20 17 18 +CONECT 21 18 22 +CONECT 22 21 19 +MASTER 0 0 0 0 0 0 0 0 22 0 22 0 +END diff --git a/s215199_cmpx.pdb b/s215199_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..f45c412ea87c50041187857b15a93c5084945a4d --- /dev/null +++ b/s215199_cmpx.pdb @@ -0,0 +1,1612 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.8 0.000 0.000 +REMARK CORE C12=CC=CC=C1NCCO2 +REMARK SMILES O=C1COc2ccc(N3CCOc4ccccc43)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 19 9 20 10 21 11 22 12 9 14 +REMARK SMILES IDX 10 15 18 16 11 17 13 18 17 19 12 20 14 21 16 22 15 23 +REMARK H PARENT 22 13 +COMPND /tmp/tmpvxncvpli/58387736_s215199_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.682 16.079 -7.653 1.00 0.00 O +ATOM 2 C UNL A 1 22.660 16.827 -7.713 1.00 0.00 C +ATOM 3 C UNL A 1 22.903 17.908 -6.653 1.00 0.00 C +ATOM 4 O UNL A 1 24.212 18.348 -6.354 1.00 0.00 O +ATOM 5 C UNL A 1 24.723 19.134 -7.349 1.00 0.00 C +ATOM 6 C UNL A 1 24.999 20.462 -7.044 1.00 0.00 C +ATOM 7 C UNL A 1 25.731 21.237 -7.947 1.00 0.00 C +ATOM 8 C UNL A 1 26.241 20.674 -9.125 1.00 0.00 C +ATOM 9 C UNL A 1 25.878 19.356 -9.446 1.00 0.00 C +ATOM 10 C UNL A 1 25.113 18.573 -8.564 1.00 0.00 C +ATOM 11 C UNL A 1 24.865 17.124 -8.847 1.00 0.00 C +ATOM 12 N UNL A 1 23.471 16.747 -8.809 1.00 0.00 N +ATOM 13 H UNL A 1 23.197 15.975 -9.405 1.00 0.00 H +ATOM 14 N UNL A 1 27.230 21.374 -9.856 1.00 0.00 N +ATOM 15 C UNL A 1 26.790 22.028 -11.102 1.00 0.00 C +ATOM 16 C UNL A 1 28.570 20.881 -9.943 1.00 0.00 C +ATOM 17 C UNL A 1 27.351 21.329 -12.334 1.00 0.00 C +ATOM 18 C UNL A 1 29.293 20.878 -11.153 1.00 0.00 C +ATOM 19 C UNL A 1 29.213 20.340 -8.813 1.00 0.00 C +ATOM 20 O UNL A 1 28.782 21.350 -12.341 1.00 0.00 O +ATOM 21 C UNL A 1 30.588 20.358 -11.226 1.00 0.00 C +ATOM 22 C UNL A 1 30.500 19.804 -8.886 1.00 0.00 C +ATOM 23 C UNL A 1 31.186 19.803 -10.096 1.00 0.00 C +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 15 16 8 +CONECT 15 17 14 +CONECT 16 18 18 14 19 +CONECT 17 20 15 +CONECT 18 20 21 16 16 +CONECT 19 16 22 22 +CONECT 20 17 18 +CONECT 21 18 23 23 +CONECT 22 23 19 19 +CONECT 23 21 21 22 +MASTER 0 0 0 0 0 0 0 0 23 0 23 0 +END diff --git a/s2152354_cmpx.pdb b/s2152354_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..5b8969ac4cda26b51c701f14b2d962c54f0f07a7 --- /dev/null +++ b/s2152354_cmpx.pdb @@ -0,0 +1,1606 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.5 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc([C@@H]3CC[C@@H]4O[C@@H]4C3)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 16 9 17 10 18 11 19 12 9 14 +REMARK SMILES IDX 10 15 15 16 11 17 14 18 12 19 13 20 +REMARK H PARENT 19 13 +COMPND /tmp/tmpb3m5dpnn/64876020_s2152354_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.685 16.062 -7.724 1.00 0.00 O +ATOM 2 C UNL A 1 22.716 16.736 -7.719 1.00 0.00 C +ATOM 3 C UNL A 1 22.869 17.964 -6.805 1.00 0.00 C +ATOM 4 O UNL A 1 24.145 18.361 -6.326 1.00 0.00 O +ATOM 5 C UNL A 1 24.862 18.981 -7.313 1.00 0.00 C +ATOM 6 C UNL A 1 25.173 20.329 -7.161 1.00 0.00 C +ATOM 7 C UNL A 1 25.940 20.976 -8.132 1.00 0.00 C +ATOM 8 C UNL A 1 26.410 20.276 -9.254 1.00 0.00 C +ATOM 9 C UNL A 1 26.095 18.911 -9.377 1.00 0.00 C +ATOM 10 C UNL A 1 25.335 18.251 -8.402 1.00 0.00 C +ATOM 11 C UNL A 1 25.088 16.776 -8.475 1.00 0.00 C +ATOM 12 N UNL A 1 23.694 16.436 -8.624 1.00 0.00 N +ATOM 13 H UNL A 1 23.482 15.592 -9.141 1.00 0.00 H +ATOM 14 C UNL A 1 27.259 20.986 -10.296 1.00 0.00 C +ATOM 15 C UNL A 1 26.602 20.939 -11.687 1.00 0.00 C +ATOM 16 C UNL A 1 28.695 20.419 -10.329 1.00 0.00 C +ATOM 17 C UNL A 1 27.361 21.821 -12.680 1.00 0.00 C +ATOM 18 C UNL A 1 29.492 20.919 -11.494 1.00 0.00 C +ATOM 19 C UNL A 1 28.832 21.569 -12.682 1.00 0.00 C +ATOM 20 O UNL A 1 29.225 20.196 -12.714 1.00 0.00 O +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 15 16 8 +CONECT 15 17 14 +CONECT 16 18 14 +CONECT 17 19 15 +CONECT 18 20 19 16 +CONECT 19 20 17 18 +CONECT 20 19 18 +MASTER 0 0 0 0 0 0 0 0 20 0 20 0 +END diff --git a/s2156049_cmpx.pdb b/s2156049_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..61217cd5bc011f67b176d65f0d15b451f79ce4df --- /dev/null +++ b/s2156049_cmpx.pdb @@ -0,0 +1,1608 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.7 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(Cc3ccnc(Cl)c3)cc2CN1 +REMARK SMILES IDX 9 1 8 2 2 3 3 4 20 5 4 6 19 7 5 8 18 9 6 10 17 11 7 12 1 13 +REMARK SMILES IDX 10 15 11 16 16 17 12 18 14 19 13 20 15 21 +REMARK H PARENT 20 14 +COMPND /tmp/tmpuok0aj4s/58389434_s2156049_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 C UNL A 1 27.174 20.808 -10.391 1.00 0.00 C +ATOM 2 C UNL A 1 26.345 20.151 -9.312 1.00 0.00 C +ATOM 3 C UNL A 1 22.636 16.706 -7.664 1.00 0.00 C +ATOM 4 C UNL A 1 22.814 17.934 -6.753 1.00 0.00 C +ATOM 5 N UNL A 1 23.607 16.382 -8.569 1.00 0.00 N +ATOM 6 O UNL A 1 24.099 18.343 -6.311 1.00 0.00 O +ATOM 7 C UNL A 1 25.007 16.688 -8.413 1.00 0.00 C +ATOM 8 C UNL A 1 24.802 18.932 -7.326 1.00 0.00 C +ATOM 9 C UNL A 1 25.281 18.160 -8.386 1.00 0.00 C +ATOM 10 C UNL A 1 25.096 20.289 -7.234 1.00 0.00 C +ATOM 11 C UNL A 1 26.045 18.781 -9.382 1.00 0.00 C +ATOM 12 C UNL A 1 25.855 20.901 -8.231 1.00 0.00 C +ATOM 13 O UNL A 1 21.591 16.052 -7.662 1.00 0.00 O +ATOM 14 H UNL A 1 23.372 15.546 -9.090 1.00 0.00 H +ATOM 15 C UNL A 1 28.640 20.460 -10.314 1.00 0.00 C +ATOM 16 C UNL A 1 29.227 20.097 -9.098 1.00 0.00 C +ATOM 17 C UNL A 1 29.455 20.527 -11.449 1.00 0.00 C +ATOM 18 C UNL A 1 30.586 19.813 -9.071 1.00 0.00 C +ATOM 19 C UNL A 1 30.799 20.229 -11.311 1.00 0.00 C +ATOM 20 N UNL A 1 31.388 19.869 -10.153 1.00 0.00 N +ATOM 21 Cl UNL A 1 31.857 20.302 -12.659 1.00 0.00 Cl +CONECT 1 15 2 +CONECT 2 1 11 11 12 +CONECT 3 5 13 13 4 +CONECT 4 3 6 +CONECT 5 14 7 3 +CONECT 6 8 4 +CONECT 7 5 9 +CONECT 8 9 9 10 6 +CONECT 9 11 7 8 8 +CONECT 10 12 12 8 +CONECT 11 2 2 9 +CONECT 12 2 10 10 +CONECT 13 3 3 +CONECT 14 5 +CONECT 15 17 17 1 16 +CONECT 16 15 18 18 +CONECT 17 19 15 15 +CONECT 18 20 16 16 +CONECT 19 21 17 20 20 +CONECT 20 19 19 18 +CONECT 21 19 +MASTER 0 0 0 0 0 0 0 0 21 0 21 0 +END diff --git a/s2160537_cmpx.pdb b/s2160537_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..c97b78bce55fd220089caa83357049e5757aba2b --- /dev/null +++ b/s2160537_cmpx.pdb @@ -0,0 +1,1610 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.5 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(N3[C@H]4CCC[C@@H]3CCC4)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 18 9 19 10 20 11 21 12 9 14 +REMARK SMILES IDX 14 15 10 16 15 17 13 18 17 19 11 20 16 21 12 22 +REMARK H PARENT 21 13 +COMPND /tmp/tmpxm2z6ggc/66130849_s2160537_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.945 16.028 -7.832 1.00 0.00 O +ATOM 2 C UNL A 1 22.924 16.759 -7.792 1.00 0.00 C +ATOM 3 C UNL A 1 22.965 18.005 -6.878 1.00 0.00 C +ATOM 4 O UNL A 1 24.179 18.508 -6.342 1.00 0.00 O +ATOM 5 C UNL A 1 24.938 19.107 -7.305 1.00 0.00 C +ATOM 6 C UNL A 1 25.186 20.466 -7.220 1.00 0.00 C +ATOM 7 C UNL A 1 26.002 21.084 -8.177 1.00 0.00 C +ATOM 8 C UNL A 1 26.631 20.369 -9.217 1.00 0.00 C +ATOM 9 C UNL A 1 26.327 18.998 -9.274 1.00 0.00 C +ATOM 10 C UNL A 1 25.519 18.356 -8.319 1.00 0.00 C +ATOM 11 C UNL A 1 25.322 16.874 -8.358 1.00 0.00 C +ATOM 12 N UNL A 1 23.963 16.515 -8.646 1.00 0.00 N +ATOM 13 H UNL A 1 23.811 15.686 -9.203 1.00 0.00 H +ATOM 14 N UNL A 1 27.480 20.993 -10.146 1.00 0.00 N +ATOM 15 C UNL A 1 27.276 20.700 -11.576 1.00 0.00 C +ATOM 16 C UNL A 1 27.906 22.391 -9.942 1.00 0.00 C +ATOM 17 C UNL A 1 28.581 20.891 -12.358 1.00 0.00 C +ATOM 18 C UNL A 1 26.088 21.509 -12.102 1.00 0.00 C +ATOM 19 C UNL A 1 29.276 22.619 -10.592 1.00 0.00 C +ATOM 20 C UNL A 1 26.831 23.375 -10.427 1.00 0.00 C +ATOM 21 C UNL A 1 29.423 22.110 -12.015 1.00 0.00 C +ATOM 22 C UNL A 1 25.975 22.954 -11.623 1.00 0.00 C +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 15 16 8 +CONECT 15 17 18 14 +CONECT 16 19 20 14 +CONECT 17 21 15 +CONECT 18 22 15 +CONECT 19 21 16 +CONECT 20 22 22 16 +CONECT 21 17 19 +CONECT 22 18 20 20 +MASTER 0 0 0 0 0 0 0 0 22 0 22 0 +END diff --git a/s2160725_cmpx.pdb b/s2160725_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..1cd00652d0db508b71d7c1777877a011c46b61e3 --- /dev/null +++ b/s2160725_cmpx.pdb @@ -0,0 +1,1612 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.5 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(-c3ccc(=O)n(C4CC4)c3)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 19 9 20 10 21 11 22 12 9 14 +REMARK SMILES IDX 10 15 18 16 11 17 14 18 12 19 13 20 15 21 16 22 17 23 +REMARK H PARENT 22 13 +COMPND /tmp/tmpxn74wuh_/58391907_s2160725_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.666 16.084 -7.653 1.00 0.00 O +ATOM 2 C UNL A 1 22.714 16.734 -7.682 1.00 0.00 C +ATOM 3 C UNL A 1 22.886 18.017 -6.849 1.00 0.00 C +ATOM 4 O UNL A 1 24.168 18.423 -6.393 1.00 0.00 O +ATOM 5 C UNL A 1 24.907 18.953 -7.414 1.00 0.00 C +ATOM 6 C UNL A 1 25.236 20.306 -7.364 1.00 0.00 C +ATOM 7 C UNL A 1 26.017 20.866 -8.379 1.00 0.00 C +ATOM 8 C UNL A 1 26.479 20.067 -9.431 1.00 0.00 C +ATOM 9 C UNL A 1 26.156 18.701 -9.456 1.00 0.00 C +ATOM 10 C UNL A 1 25.379 18.131 -8.439 1.00 0.00 C +ATOM 11 C UNL A 1 25.092 16.661 -8.405 1.00 0.00 C +ATOM 12 N UNL A 1 23.692 16.353 -8.556 1.00 0.00 N +ATOM 13 H UNL A 1 23.462 15.482 -9.018 1.00 0.00 H +ATOM 14 C UNL A 1 27.278 20.642 -10.525 1.00 0.00 C +ATOM 15 C UNL A 1 26.676 21.100 -11.762 1.00 0.00 C +ATOM 16 C UNL A 1 28.615 20.712 -10.390 1.00 0.00 C +ATOM 17 C UNL A 1 27.424 21.591 -12.757 1.00 0.00 C +ATOM 18 N UNL A 1 29.424 21.192 -11.409 1.00 0.00 N +ATOM 19 C UNL A 1 28.902 21.677 -12.612 1.00 0.00 C +ATOM 20 O UNL A 1 29.562 22.155 -13.532 1.00 0.00 O +ATOM 21 C UNL A 1 30.852 21.256 -11.190 1.00 0.00 C +ATOM 22 C UNL A 1 31.721 20.059 -11.504 1.00 0.00 C +ATOM 23 C UNL A 1 31.571 20.516 -10.087 1.00 0.00 C +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 15 16 16 8 +CONECT 15 17 17 14 +CONECT 16 18 14 14 +CONECT 17 19 15 15 +CONECT 18 19 21 16 +CONECT 19 20 20 17 18 +CONECT 20 19 19 +CONECT 21 22 18 23 +CONECT 22 21 23 +CONECT 23 22 21 +MASTER 0 0 0 0 0 0 0 0 23 0 23 0 +END diff --git a/s2175897_cmpx.pdb b/s2175897_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..a4893e9071243b58c1e80218d4bf397db48b1838 --- /dev/null +++ b/s2175897_cmpx.pdb @@ -0,0 +1,1614 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.5 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(Nc3ccc4c(c3)CCO4)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 19 9 20 10 21 11 22 12 9 14 +REMARK SMILES IDX 10 16 11 17 15 18 12 19 14 20 13 21 16 22 18 23 17 24 +REMARK H PARENT 22 13 9 15 +COMPND /tmp/tmpbmzy6pt8/58400363_s2175897_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.751 16.134 -7.722 1.00 0.00 O +ATOM 2 C UNL A 1 22.805 16.771 -7.706 1.00 0.00 C +ATOM 3 C UNL A 1 22.997 17.969 -6.765 1.00 0.00 C +ATOM 4 O UNL A 1 24.297 18.367 -6.371 1.00 0.00 O +ATOM 5 C UNL A 1 24.938 19.004 -7.397 1.00 0.00 C +ATOM 6 C UNL A 1 25.173 20.361 -7.283 1.00 0.00 C +ATOM 7 C UNL A 1 25.886 21.013 -8.284 1.00 0.00 C +ATOM 8 C UNL A 1 26.395 20.314 -9.394 1.00 0.00 C +ATOM 9 C UNL A 1 26.136 18.939 -9.488 1.00 0.00 C +ATOM 10 C UNL A 1 25.407 18.272 -8.489 1.00 0.00 C +ATOM 11 C UNL A 1 25.174 16.794 -8.528 1.00 0.00 C +ATOM 12 N UNL A 1 23.772 16.446 -8.615 1.00 0.00 N +ATOM 13 H UNL A 1 23.534 15.615 -9.140 1.00 0.00 H +ATOM 14 N UNL A 1 27.235 20.934 -10.355 1.00 0.00 N +ATOM 15 H UNL A 1 27.172 21.947 -10.318 1.00 0.00 H +ATOM 16 C UNL A 1 28.524 20.463 -10.712 1.00 0.00 C +ATOM 17 C UNL A 1 29.490 20.241 -9.699 1.00 0.00 C +ATOM 18 C UNL A 1 28.910 20.429 -12.058 1.00 0.00 C +ATOM 19 C UNL A 1 30.843 20.090 -10.004 1.00 0.00 C +ATOM 20 C UNL A 1 30.258 20.294 -12.345 1.00 0.00 C +ATOM 21 C UNL A 1 31.199 20.163 -11.331 1.00 0.00 C +ATOM 22 C UNL A 1 30.965 20.291 -13.646 1.00 0.00 C +ATOM 23 O UNL A 1 32.494 20.170 -11.790 1.00 0.00 O +ATOM 24 C UNL A 1 32.344 20.699 -13.130 1.00 0.00 C +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 16 15 8 +CONECT 15 14 +CONECT 16 18 18 14 17 +CONECT 17 16 19 19 +CONECT 18 20 16 16 +CONECT 19 21 17 17 +CONECT 20 22 18 21 21 +CONECT 21 20 20 23 19 +CONECT 22 24 20 +CONECT 23 24 21 +CONECT 24 22 23 +MASTER 0 0 0 0 0 0 0 0 24 0 24 0 +END diff --git a/s217684_cmpx.pdb b/s217684_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..579c038ca52b79a2eb1d970c72ce07f9bd9c0b57 --- /dev/null +++ b/s217684_cmpx.pdb @@ -0,0 +1,1606 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.8 0.000 0.000 +REMARK CORE C12=CC=CC=C1C=CC=N2 +REMARK SMILES C[C@]1(c2ccnc3ccccc23)CCC(=O)NC1=O +REMARK SMILES IDX 1 1 2 2 13 3 14 4 15 5 16 6 17 7 18 8 19 9 3 11 4 12 12 13 +REMARK SMILES IDX 5 14 7 15 11 16 6 17 8 18 10 19 9 20 +REMARK H PARENT 17 10 +COMPND /tmp/tmpksg1j7xu/66139765_s217684_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 C UNL A 1 25.795 18.059 -6.485 1.00 0.00 C +ATOM 2 C UNL A 1 24.989 18.535 -7.721 1.00 0.00 C +ATOM 3 C UNL A 1 23.539 19.003 -7.414 1.00 0.00 C +ATOM 4 C UNL A 1 22.682 17.941 -6.743 1.00 0.00 C +ATOM 5 C UNL A 1 22.678 16.688 -7.561 1.00 0.00 C +ATOM 6 O UNL A 1 21.668 16.012 -7.742 1.00 0.00 O +ATOM 7 N UNL A 1 23.879 16.323 -8.098 1.00 0.00 N +ATOM 8 C UNL A 1 24.839 17.213 -8.527 1.00 0.00 C +ATOM 9 O UNL A 1 25.551 16.848 -9.463 1.00 0.00 O +ATOM 10 H UNL A 1 23.831 15.484 -8.661 1.00 0.00 H +ATOM 11 C UNL A 1 25.739 19.718 -8.418 1.00 0.00 C +ATOM 12 C UNL A 1 26.101 19.634 -9.773 1.00 0.00 C +ATOM 13 C UNL A 1 26.074 20.952 -7.737 1.00 0.00 C +ATOM 14 C UNL A 1 26.794 20.667 -10.377 1.00 0.00 C +ATOM 15 C UNL A 1 26.780 21.944 -8.475 1.00 0.00 C +ATOM 16 C UNL A 1 25.756 21.293 -6.391 1.00 0.00 C +ATOM 17 N UNL A 1 27.138 21.801 -9.753 1.00 0.00 N +ATOM 18 C UNL A 1 27.130 23.148 -7.877 1.00 0.00 C +ATOM 19 C UNL A 1 26.111 22.514 -5.811 1.00 0.00 C +ATOM 20 C UNL A 1 26.804 23.444 -6.557 1.00 0.00 C +CONECT 1 2 +CONECT 2 8 11 3 1 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 7 6 6 4 +CONECT 6 5 5 +CONECT 7 10 8 5 +CONECT 8 9 9 7 2 +CONECT 9 8 8 +CONECT 10 7 +CONECT 11 12 12 13 2 +CONECT 12 14 11 11 +CONECT 13 15 15 11 16 +CONECT 14 12 17 17 +CONECT 15 17 18 13 13 +CONECT 16 13 19 19 +CONECT 17 14 14 15 +CONECT 18 15 20 20 +CONECT 19 20 16 16 +CONECT 20 18 18 19 +MASTER 0 0 0 0 0 0 0 0 20 0 20 0 +END diff --git a/s217687_cmpx.pdb b/s217687_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..42cbd04ebf7c6932dfe1c1fc048a7f861d6abee1 --- /dev/null +++ b/s217687_cmpx.pdb @@ -0,0 +1,1604 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.8 0.000 0.000 +REMARK CORE C12=C(SC=C2)C=CC=N1 +REMARK SMILES C[C@]1(c2ccnc3ccsc23)CCC(=O)NC1=O +REMARK SMILES IDX 1 1 2 2 12 3 13 4 14 5 15 6 16 7 17 8 18 9 3 11 4 12 11 13 +REMARK SMILES IDX 5 14 7 15 10 16 6 17 8 18 9 19 +REMARK H PARENT 16 10 +COMPND /tmp/tmp7_4x5tj7/66139768_s217687_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 C UNL A 1 25.720 18.066 -6.410 1.00 0.00 C +ATOM 2 C UNL A 1 25.009 18.416 -7.744 1.00 0.00 C +ATOM 3 C UNL A 1 23.591 18.969 -7.478 1.00 0.00 C +ATOM 4 C UNL A 1 22.688 17.953 -6.798 1.00 0.00 C +ATOM 5 C UNL A 1 22.626 16.673 -7.592 1.00 0.00 C +ATOM 6 O UNL A 1 21.661 15.919 -7.544 1.00 0.00 O +ATOM 7 N UNL A 1 23.744 16.353 -8.321 1.00 0.00 N +ATOM 8 C UNL A 1 24.916 17.061 -8.466 1.00 0.00 C +ATOM 9 O UNL A 1 25.862 16.544 -9.060 1.00 0.00 O +ATOM 10 H UNL A 1 23.714 15.460 -8.793 1.00 0.00 H +ATOM 11 C UNL A 1 25.774 19.495 -8.549 1.00 0.00 C +ATOM 12 C UNL A 1 26.289 19.192 -9.829 1.00 0.00 C +ATOM 13 C UNL A 1 26.110 20.800 -8.087 1.00 0.00 C +ATOM 14 C UNL A 1 26.989 20.133 -10.562 1.00 0.00 C +ATOM 15 C UNL A 1 26.811 21.694 -8.911 1.00 0.00 C +ATOM 16 S UNL A 1 25.816 21.553 -6.554 1.00 0.00 S +ATOM 17 N UNL A 1 27.254 21.378 -10.155 1.00 0.00 N +ATOM 18 C UNL A 1 27.006 22.972 -8.310 1.00 0.00 C +ATOM 19 C UNL A 1 26.498 23.037 -7.037 1.00 0.00 C +CONECT 1 2 +CONECT 2 11 8 3 1 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 7 6 6 4 +CONECT 6 5 5 +CONECT 7 10 8 5 +CONECT 8 9 9 7 2 +CONECT 9 8 8 +CONECT 10 7 +CONECT 11 12 12 13 2 +CONECT 12 14 11 11 +CONECT 13 15 15 11 16 +CONECT 14 17 17 12 +CONECT 15 17 18 13 13 +CONECT 16 13 19 +CONECT 17 14 14 15 +CONECT 18 15 19 19 +CONECT 19 18 18 16 +MASTER 0 0 0 0 0 0 0 0 19 0 19 0 +END diff --git a/s217708_cmpx.pdb b/s217708_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..0b2148f0fdac7a038d0724ed09a97b8196ba23b0 --- /dev/null +++ b/s217708_cmpx.pdb @@ -0,0 +1,1606 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.8 0.000 0.000 +REMARK CORE C12=NC=CC=C1C=CN2 +REMARK SMILES C[C@]1(c2ccnc3[nH]ccc23)CCC(=O)NC1=O +REMARK SMILES IDX 3 1 4 2 5 3 6 4 7 5 8 6 9 7 10 8 11 9 2 11 12 12 17 13 13 14 +REMARK SMILES IDX 16 15 14 16 1 17 18 18 15 20 +REMARK H PARENT 8 10 16 19 +COMPND /tmp/tmpilum0cc7/58400775_s217708_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 C UNL A 1 25.696 19.603 -8.454 1.00 0.00 C +ATOM 2 C UNL A 1 26.040 19.394 -9.814 1.00 0.00 C +ATOM 3 C UNL A 1 26.637 20.388 -10.577 1.00 0.00 C +ATOM 4 N UNL A 1 26.913 21.630 -10.149 1.00 0.00 N +ATOM 5 C UNL A 1 26.556 21.829 -8.872 1.00 0.00 C +ATOM 6 N UNL A 1 26.723 23.028 -8.240 1.00 0.00 N +ATOM 7 C UNL A 1 26.263 22.946 -6.956 1.00 0.00 C +ATOM 8 C UNL A 1 25.792 21.659 -6.773 1.00 0.00 C +ATOM 9 C UNL A 1 25.967 20.924 -7.984 1.00 0.00 C +ATOM 10 H UNL A 1 27.124 23.840 -8.686 1.00 0.00 H +ATOM 11 C UNL A 1 24.984 18.470 -7.670 1.00 0.00 C +ATOM 12 C UNL A 1 23.555 18.977 -7.357 1.00 0.00 C +ATOM 13 C UNL A 1 24.870 17.148 -8.461 1.00 0.00 C +ATOM 14 C UNL A 1 22.662 17.912 -6.739 1.00 0.00 C +ATOM 15 N UNL A 1 23.857 16.288 -8.109 1.00 0.00 N +ATOM 16 C UNL A 1 22.654 16.664 -7.583 1.00 0.00 C +ATOM 17 C UNL A 1 25.724 18.068 -6.379 1.00 0.00 C +ATOM 18 O UNL A 1 25.649 16.800 -9.346 1.00 0.00 O +ATOM 19 H UNL A 1 23.815 15.453 -8.679 1.00 0.00 H +ATOM 20 O UNL A 1 21.640 16.003 -7.781 1.00 0.00 O +CONECT 1 2 2 9 11 +CONECT 2 3 1 1 +CONECT 3 4 4 2 +CONECT 4 3 3 5 +CONECT 5 4 6 9 9 +CONECT 6 5 10 7 +CONECT 7 6 8 8 +CONECT 8 9 7 7 +CONECT 9 5 5 1 8 +CONECT 10 6 +CONECT 11 13 1 12 17 +CONECT 12 11 14 +CONECT 13 18 18 15 11 +CONECT 14 16 12 +CONECT 15 19 13 16 +CONECT 16 15 20 20 14 +CONECT 17 11 +CONECT 18 13 13 +CONECT 19 15 +CONECT 20 16 16 +MASTER 0 0 0 0 0 0 0 0 20 0 20 0 +END diff --git a/s217719_cmpx.pdb b/s217719_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..73869ce19411fa8f009e83740025667ecf125373 --- /dev/null +++ b/s217719_cmpx.pdb @@ -0,0 +1,1606 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -9.1 0.000 0.000 +REMARK CORE C12=C(C=CC=C2)NN=C1 +REMARK SMILES C[C@]1(c2cccc3[nH]ncc23)CCC(=O)NC1=O +REMARK SMILES IDX 3 1 4 2 5 3 6 4 7 5 8 6 9 7 10 8 11 9 2 11 12 12 17 13 13 14 +REMARK SMILES IDX 16 15 14 16 1 17 18 18 15 20 +REMARK H PARENT 8 10 16 19 +COMPND /tmp/tmpqq2kvbq1/64888983_s217719_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 C UNL A 1 25.670 19.589 -8.487 1.00 0.00 C +ATOM 2 C UNL A 1 25.900 19.371 -9.877 1.00 0.00 C +ATOM 3 C UNL A 1 26.494 20.317 -10.714 1.00 0.00 C +ATOM 4 C UNL A 1 26.875 21.559 -10.224 1.00 0.00 C +ATOM 5 C UNL A 1 26.624 21.805 -8.874 1.00 0.00 C +ATOM 6 N UNL A 1 26.865 22.928 -8.126 1.00 0.00 N +ATOM 7 N UNL A 1 26.472 22.829 -6.849 1.00 0.00 N +ATOM 8 C UNL A 1 25.978 21.593 -6.779 1.00 0.00 C +ATOM 9 C UNL A 1 26.039 20.879 -8.007 1.00 0.00 C +ATOM 10 H UNL A 1 27.288 23.795 -8.437 1.00 0.00 H +ATOM 11 C UNL A 1 24.965 18.469 -7.673 1.00 0.00 C +ATOM 12 C UNL A 1 23.530 18.969 -7.380 1.00 0.00 C +ATOM 13 C UNL A 1 24.893 17.131 -8.441 1.00 0.00 C +ATOM 14 C UNL A 1 22.649 17.903 -6.747 1.00 0.00 C +ATOM 15 N UNL A 1 23.809 16.319 -8.198 1.00 0.00 N +ATOM 16 C UNL A 1 22.630 16.655 -7.589 1.00 0.00 C +ATOM 17 C UNL A 1 25.697 18.107 -6.364 1.00 0.00 C +ATOM 18 O UNL A 1 25.771 16.729 -9.204 1.00 0.00 O +ATOM 19 H UNL A 1 23.786 15.468 -8.745 1.00 0.00 H +ATOM 20 O UNL A 1 21.633 15.950 -7.706 1.00 0.00 O +CONECT 1 2 2 9 11 +CONECT 2 3 1 1 +CONECT 3 4 4 2 +CONECT 4 3 3 5 +CONECT 5 4 6 9 9 +CONECT 6 5 10 7 +CONECT 7 6 8 8 +CONECT 8 9 7 7 +CONECT 9 5 5 1 8 +CONECT 10 6 +CONECT 11 1 13 12 17 +CONECT 12 11 14 +CONECT 13 18 18 15 11 +CONECT 14 16 12 +CONECT 15 19 13 16 +CONECT 16 15 20 20 14 +CONECT 17 11 +CONECT 18 13 13 +CONECT 19 15 +CONECT 20 16 16 +MASTER 0 0 0 0 0 0 0 0 20 0 20 0 +END diff --git a/s217720_cmpx.pdb b/s217720_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..796739276998898fc35fead2df511cbb481eef81 --- /dev/null +++ b/s217720_cmpx.pdb @@ -0,0 +1,1606 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.6 0.000 0.000 +REMARK CORE C12=C(C=CC=C2)NN=C1 +REMARK SMILES C[C@]1(c2cccc3cn[nH]c23)CCC(=O)NC1=O +REMARK SMILES IDX 3 1 4 2 5 3 6 4 7 5 8 6 9 7 10 8 11 9 2 11 12 12 17 13 13 14 +REMARK SMILES IDX 16 15 14 16 1 17 18 18 15 20 +REMARK H PARENT 10 10 16 19 +COMPND /tmp/tmp8y0thzye/66139937_s217720_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 C UNL A 1 25.704 19.715 -8.361 1.00 0.00 C +ATOM 2 C UNL A 1 26.149 19.567 -9.710 1.00 0.00 C +ATOM 3 C UNL A 1 26.809 20.564 -10.429 1.00 0.00 C +ATOM 4 C UNL A 1 27.077 21.793 -9.841 1.00 0.00 C +ATOM 5 C UNL A 1 26.677 21.998 -8.513 1.00 0.00 C +ATOM 6 C UNL A 1 26.776 23.081 -7.612 1.00 0.00 C +ATOM 7 N UNL A 1 26.241 22.809 -6.426 1.00 0.00 N +ATOM 8 N UNL A 1 25.778 21.557 -6.581 1.00 0.00 N +ATOM 9 C UNL A 1 26.017 20.985 -7.811 1.00 0.00 C +ATOM 10 H UNL A 1 25.264 21.136 -5.810 1.00 0.00 H +ATOM 11 C UNL A 1 24.959 18.513 -7.702 1.00 0.00 C +ATOM 12 C UNL A 1 23.520 18.975 -7.345 1.00 0.00 C +ATOM 13 C UNL A 1 24.821 17.223 -8.536 1.00 0.00 C +ATOM 14 C UNL A 1 22.664 17.879 -6.725 1.00 0.00 C +ATOM 15 N UNL A 1 23.867 16.317 -8.143 1.00 0.00 N +ATOM 16 C UNL A 1 22.666 16.649 -7.584 1.00 0.00 C +ATOM 17 C UNL A 1 25.748 18.091 -6.437 1.00 0.00 C +ATOM 18 O UNL A 1 25.526 16.916 -9.497 1.00 0.00 O +ATOM 19 H UNL A 1 23.817 15.499 -8.740 1.00 0.00 H +ATOM 20 O UNL A 1 21.665 15.962 -7.770 1.00 0.00 O +CONECT 1 2 2 9 11 +CONECT 2 3 1 1 +CONECT 3 4 4 2 +CONECT 4 3 3 5 +CONECT 5 4 9 9 6 +CONECT 6 5 7 7 +CONECT 7 6 6 8 +CONECT 8 9 7 10 +CONECT 9 5 5 1 8 +CONECT 10 8 +CONECT 11 13 1 12 17 +CONECT 12 11 14 +CONECT 13 18 18 15 11 +CONECT 14 16 12 +CONECT 15 19 13 16 +CONECT 16 15 20 20 14 +CONECT 17 11 +CONECT 18 13 13 +CONECT 19 15 +CONECT 20 16 16 +MASTER 0 0 0 0 0 0 0 0 20 0 20 0 +END diff --git a/s217723_cmpx.pdb b/s217723_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..7a3a880ed644ae2a494010c0ddcd262294a3805e --- /dev/null +++ b/s217723_cmpx.pdb @@ -0,0 +1,1610 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.5 0.000 0.000 +REMARK CORE NC1=C2N=CC=CN2C=N1 +REMARK SMILES C[C@]1(c2ccnc3c(N)ncn23)CCC(=O)NC1=O +REMARK SMILES IDX 3 1 4 2 5 3 6 4 7 5 8 6 10 7 11 8 12 9 2 10 13 11 18 12 +REMARK SMILES IDX 14 13 17 14 15 15 1 16 19 17 16 19 9 20 +REMARK H PARENT 17 18 9 21 9 22 +COMPND /tmp/tmpc8y79srt/64889001_s217723_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 C UNL A 1 25.682 19.563 -8.501 1.00 0.00 C +ATOM 2 C UNL A 1 25.986 19.424 -9.814 1.00 0.00 C +ATOM 3 C UNL A 1 26.658 20.554 -10.508 1.00 0.00 C +ATOM 4 N UNL A 1 26.945 21.704 -9.990 1.00 0.00 N +ATOM 5 C UNL A 1 26.589 21.855 -8.682 1.00 0.00 C +ATOM 6 C UNL A 1 26.660 22.920 -7.811 1.00 0.00 C +ATOM 7 N UNL A 1 26.203 22.618 -6.575 1.00 0.00 N +ATOM 8 C UNL A 1 25.812 21.366 -6.674 1.00 0.00 C +ATOM 9 N UNL A 1 26.000 20.827 -7.932 1.00 0.00 N +ATOM 10 C UNL A 1 24.962 18.454 -7.678 1.00 0.00 C +ATOM 11 C UNL A 1 23.524 18.946 -7.376 1.00 0.00 C +ATOM 12 C UNL A 1 24.852 17.088 -8.429 1.00 0.00 C +ATOM 13 C UNL A 1 22.636 17.896 -6.731 1.00 0.00 C +ATOM 14 N UNL A 1 23.772 16.286 -8.153 1.00 0.00 N +ATOM 15 C UNL A 1 22.591 16.652 -7.571 1.00 0.00 C +ATOM 16 C UNL A 1 25.745 18.067 -6.404 1.00 0.00 C +ATOM 17 O UNL A 1 25.721 16.646 -9.181 1.00 0.00 O +ATOM 18 H UNL A 1 23.737 15.427 -8.686 1.00 0.00 H +ATOM 19 O UNL A 1 21.574 15.983 -7.717 1.00 0.00 O +ATOM 20 N UNL A 1 27.118 24.139 -8.095 1.00 0.00 N +ATOM 21 H UNL A 1 26.619 24.953 -7.752 1.00 0.00 H +ATOM 22 H UNL A 1 27.665 24.279 -8.934 1.00 0.00 H +CONECT 1 2 2 9 10 +CONECT 2 3 1 1 +CONECT 3 4 4 2 +CONECT 4 3 3 5 +CONECT 5 4 9 6 6 +CONECT 6 5 5 20 7 +CONECT 7 6 8 8 +CONECT 8 9 7 7 +CONECT 9 5 1 8 +CONECT 10 1 12 11 16 +CONECT 11 10 13 +CONECT 12 17 17 14 10 +CONECT 13 15 11 +CONECT 14 18 12 15 +CONECT 15 14 19 19 13 +CONECT 16 10 +CONECT 17 12 12 +CONECT 18 14 +CONECT 19 15 15 +CONECT 20 22 6 21 +CONECT 21 20 +CONECT 22 20 +MASTER 0 0 0 0 0 0 0 0 22 0 22 0 +END diff --git a/s217725_cmpx.pdb b/s217725_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..37d6f645d591208f1a324d6d41195727f82b249c --- /dev/null +++ b/s217725_cmpx.pdb @@ -0,0 +1,1610 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.8 0.000 0.000 +REMARK CORE NC1=NN2C=CC=CC2=N1 +REMARK SMILES C[C@]1(c2cccc3nc(N)nn23)CCC(=O)NC1=O +REMARK SMILES IDX 3 1 4 2 5 3 6 4 7 5 8 6 9 7 11 8 12 9 2 10 13 11 18 12 14 13 +REMARK SMILES IDX 17 14 15 15 1 16 19 17 16 19 10 20 +REMARK H PARENT 17 18 10 21 10 22 +COMPND /tmp/tmp8d6f31sc/64889015_s217725_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 C UNL A 1 25.680 19.722 -8.245 1.00 0.00 C +ATOM 2 C UNL A 1 25.965 19.827 -9.566 1.00 0.00 C +ATOM 3 C UNL A 1 26.637 21.003 -10.098 1.00 0.00 C +ATOM 4 C UNL A 1 26.966 22.042 -9.315 1.00 0.00 C +ATOM 5 C UNL A 1 26.652 21.993 -7.936 1.00 0.00 C +ATOM 6 N UNL A 1 26.811 22.881 -6.981 1.00 0.00 N +ATOM 7 C UNL A 1 26.283 22.260 -5.905 1.00 0.00 C +ATOM 8 N UNL A 1 25.844 21.026 -6.100 1.00 0.00 N +ATOM 9 N UNL A 1 26.037 20.839 -7.432 1.00 0.00 N +ATOM 10 C UNL A 1 24.958 18.522 -7.573 1.00 0.00 C +ATOM 11 C UNL A 1 23.505 18.955 -7.246 1.00 0.00 C +ATOM 12 C UNL A 1 24.872 17.238 -8.455 1.00 0.00 C +ATOM 13 C UNL A 1 22.644 17.834 -6.684 1.00 0.00 C +ATOM 14 N UNL A 1 23.842 16.363 -8.203 1.00 0.00 N +ATOM 15 C UNL A 1 22.645 16.653 -7.607 1.00 0.00 C +ATOM 16 C UNL A 1 25.731 18.046 -6.321 1.00 0.00 C +ATOM 17 O UNL A 1 25.709 16.912 -9.294 1.00 0.00 O +ATOM 18 H UNL A 1 23.823 15.558 -8.815 1.00 0.00 H +ATOM 19 O UNL A 1 21.649 15.965 -7.813 1.00 0.00 O +ATOM 20 N UNL A 1 26.253 22.917 -4.751 1.00 0.00 N +ATOM 21 H UNL A 1 25.491 22.712 -4.119 1.00 0.00 H +ATOM 22 H UNL A 1 26.579 23.874 -4.740 1.00 0.00 H +CONECT 1 2 10 9 +CONECT 2 3 3 1 +CONECT 3 2 2 4 +CONECT 4 3 5 5 +CONECT 5 4 4 9 6 +CONECT 6 5 7 7 +CONECT 7 6 6 8 20 +CONECT 8 9 7 +CONECT 9 1 5 8 +CONECT 10 12 1 11 16 +CONECT 11 10 13 +CONECT 12 17 17 14 10 +CONECT 13 15 11 +CONECT 14 18 12 15 +CONECT 15 14 19 19 13 +CONECT 16 10 +CONECT 17 12 12 +CONECT 18 14 +CONECT 19 15 15 +CONECT 20 7 22 21 +CONECT 21 20 +CONECT 22 20 +MASTER 0 0 0 0 0 0 0 0 22 0 22 0 +END diff --git a/s2213262_cmpx.pdb b/s2213262_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..c89ad1c34e389ddc9877fa0cfe4f2f7169bdd126 --- /dev/null +++ b/s2213262_cmpx.pdb @@ -0,0 +1,1612 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.5 0.000 0.000 +REMARK CORE N12CCNCC1=CC=N2 +REMARK SMILES Oc1cc2c(F)c(-c3cnn4c3CNCC4)ccc2[nH]1 +REMARK SMILES IDX 2 1 3 2 4 3 5 4 6 5 7 6 17 7 18 8 19 9 20 10 1 12 8 14 9 15 +REMARK SMILES IDX 12 16 10 17 11 18 13 19 16 20 14 21 15 22 +REMARK H PARENT 20 11 1 13 14 23 +COMPND /tmp/tmp6yop7uxz/64908085_s2213262_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 C UNL A 1 22.469 16.723 -7.577 1.00 0.00 C +ATOM 2 C UNL A 1 22.653 18.018 -7.154 1.00 0.00 C +ATOM 3 C UNL A 1 23.946 18.431 -7.588 1.00 0.00 C +ATOM 4 C UNL A 1 24.720 19.589 -7.396 1.00 0.00 C +ATOM 5 F UNL A 1 24.208 20.608 -6.686 1.00 0.00 F +ATOM 6 C UNL A 1 26.031 19.659 -7.898 1.00 0.00 C +ATOM 7 C UNL A 1 26.537 18.587 -8.643 1.00 0.00 C +ATOM 8 C UNL A 1 25.776 17.432 -8.878 1.00 0.00 C +ATOM 9 C UNL A 1 24.494 17.375 -8.317 1.00 0.00 C +ATOM 10 N UNL A 1 23.563 16.362 -8.317 1.00 0.00 N +ATOM 11 H UNL A 1 23.680 15.455 -8.743 1.00 0.00 H +ATOM 12 O UNL A 1 21.491 15.851 -7.381 1.00 0.00 O +ATOM 13 H UNL A 1 21.293 15.850 -6.427 1.00 0.00 H +ATOM 14 C UNL A 1 26.889 20.766 -7.528 1.00 0.00 C +ATOM 15 C UNL A 1 27.372 21.821 -8.347 1.00 0.00 C +ATOM 16 C UNL A 1 27.409 21.046 -6.278 1.00 0.00 C +ATOM 17 N UNL A 1 28.096 22.712 -7.668 1.00 0.00 N +ATOM 18 N UNL A 1 28.098 22.218 -6.422 1.00 0.00 N +ATOM 19 C UNL A 1 27.371 20.380 -4.954 1.00 0.00 C +ATOM 20 C UNL A 1 28.862 22.869 -5.377 1.00 0.00 C +ATOM 21 N UNL A 1 28.638 20.596 -4.244 1.00 0.00 N +ATOM 22 C UNL A 1 28.917 22.032 -4.090 1.00 0.00 C +ATOM 23 H UNL A 1 29.380 20.160 -4.792 1.00 0.00 H +CONECT 1 10 12 2 2 +CONECT 2 3 1 1 +CONECT 3 9 9 4 2 +CONECT 4 6 6 3 5 +CONECT 5 4 +CONECT 6 7 14 4 4 +CONECT 7 8 8 6 +CONECT 8 7 7 9 +CONECT 9 8 10 3 3 +CONECT 10 11 9 1 +CONECT 11 10 +CONECT 12 1 13 +CONECT 13 12 +CONECT 14 15 6 16 16 +CONECT 15 17 17 14 +CONECT 16 14 14 18 19 +CONECT 17 15 15 18 +CONECT 18 17 16 20 +CONECT 19 16 21 +CONECT 20 18 22 +CONECT 21 19 23 22 +CONECT 22 20 21 +CONECT 23 21 +MASTER 0 0 0 0 0 0 0 0 23 0 23 0 +END diff --git a/s2213264_cmpx.pdb b/s2213264_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..a79ed0cbd012a5bc54bd7f5dab9334400ef2a6d6 --- /dev/null +++ b/s2213264_cmpx.pdb @@ -0,0 +1,1614 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.6 0.000 0.000 +REMARK CORE N12CCCNCC1=CC=N2 +REMARK SMILES Oc1cc2c(F)c(-c3cnn4c3CNCCC4)ccc2[nH]1 +REMARK SMILES IDX 2 1 3 2 4 3 5 4 6 5 7 6 18 7 19 8 20 9 21 10 1 12 8 14 9 15 +REMARK SMILES IDX 12 16 10 17 11 18 13 19 17 20 14 21 16 22 15 23 +REMARK H PARENT 21 11 1 13 14 24 +COMPND /tmp/tmpsw7p15ed/58419976_s2213264_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 C UNL A 1 22.429 16.738 -7.604 1.00 0.00 C +ATOM 2 C UNL A 1 22.701 17.977 -7.067 1.00 0.00 C +ATOM 3 C UNL A 1 23.938 18.423 -7.617 1.00 0.00 C +ATOM 4 C UNL A 1 24.712 19.596 -7.479 1.00 0.00 C +ATOM 5 F UNL A 1 24.316 20.535 -6.604 1.00 0.00 F +ATOM 6 C UNL A 1 25.871 19.772 -8.249 1.00 0.00 C +ATOM 7 C UNL A 1 26.294 18.723 -9.084 1.00 0.00 C +ATOM 8 C UNL A 1 25.576 17.528 -9.201 1.00 0.00 C +ATOM 9 C UNL A 1 24.390 17.419 -8.475 1.00 0.00 C +ATOM 10 N UNL A 1 23.467 16.401 -8.427 1.00 0.00 N +ATOM 11 H UNL A 1 23.518 15.537 -8.947 1.00 0.00 H +ATOM 12 O UNL A 1 21.409 15.906 -7.459 1.00 0.00 O +ATOM 13 H UNL A 1 21.576 15.138 -8.034 1.00 0.00 H +ATOM 14 C UNL A 1 26.657 20.997 -8.248 1.00 0.00 C +ATOM 15 C UNL A 1 26.766 21.962 -9.279 1.00 0.00 C +ATOM 16 C UNL A 1 27.370 21.550 -7.187 1.00 0.00 C +ATOM 17 N UNL A 1 27.432 23.051 -8.908 1.00 0.00 N +ATOM 18 N UNL A 1 27.714 22.811 -7.611 1.00 0.00 N +ATOM 19 C UNL A 1 27.753 21.049 -5.842 1.00 0.00 C +ATOM 20 C UNL A 1 28.282 23.885 -6.818 1.00 0.00 C +ATOM 21 N UNL A 1 27.135 21.799 -4.750 1.00 0.00 N +ATOM 22 C UNL A 1 27.537 24.139 -5.513 1.00 0.00 C +ATOM 23 C UNL A 1 27.800 23.065 -4.461 1.00 0.00 C +ATOM 24 H UNL A 1 27.189 21.215 -3.914 1.00 0.00 H +CONECT 1 10 12 2 2 +CONECT 2 3 1 1 +CONECT 3 9 9 4 2 +CONECT 4 6 6 3 5 +CONECT 5 4 +CONECT 6 7 14 4 4 +CONECT 7 8 8 6 +CONECT 8 7 7 9 +CONECT 9 8 10 3 3 +CONECT 10 11 9 1 +CONECT 11 10 +CONECT 12 13 1 +CONECT 13 12 +CONECT 14 15 6 16 16 +CONECT 15 17 17 14 +CONECT 16 14 14 18 19 +CONECT 17 15 15 18 +CONECT 18 17 16 20 +CONECT 19 16 21 +CONECT 20 18 22 +CONECT 21 19 23 24 +CONECT 22 20 23 +CONECT 23 22 21 +CONECT 24 21 +MASTER 0 0 0 0 0 0 0 0 24 0 24 0 +END diff --git a/s2231017_cmpx.pdb b/s2231017_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..51bb229d644e63ec39e96fca2343fc3a30ff8207 --- /dev/null +++ b/s2231017_cmpx.pdb @@ -0,0 +1,1610 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.9 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(C3(c4ccncc4)CC3)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 18 9 19 10 20 11 21 12 9 14 +REMARK SMILES IDX 16 15 17 16 10 17 11 18 15 19 12 20 14 21 13 22 +REMARK H PARENT 21 13 +COMPND /tmp/tmpusy9rhff/64917448_s2231017_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.812 16.076 -7.695 1.00 0.00 O +ATOM 2 C UNL A 1 22.822 16.775 -7.714 1.00 0.00 C +ATOM 3 C UNL A 1 22.956 18.031 -6.825 1.00 0.00 C +ATOM 4 O UNL A 1 24.217 18.511 -6.379 1.00 0.00 O +ATOM 5 C UNL A 1 24.926 19.091 -7.395 1.00 0.00 C +ATOM 6 C UNL A 1 25.228 20.446 -7.318 1.00 0.00 C +ATOM 7 C UNL A 1 25.963 21.054 -8.347 1.00 0.00 C +ATOM 8 C UNL A 1 26.411 20.320 -9.460 1.00 0.00 C +ATOM 9 C UNL A 1 26.132 18.940 -9.472 1.00 0.00 C +ATOM 10 C UNL A 1 25.409 18.315 -8.445 1.00 0.00 C +ATOM 11 C UNL A 1 25.185 16.838 -8.451 1.00 0.00 C +ATOM 12 N UNL A 1 23.800 16.486 -8.625 1.00 0.00 N +ATOM 13 H UNL A 1 23.601 15.634 -9.134 1.00 0.00 H +ATOM 14 C UNL A 1 27.128 20.974 -10.647 1.00 0.00 C +ATOM 15 C UNL A 1 26.709 22.392 -11.031 1.00 0.00 C +ATOM 16 C UNL A 1 26.275 21.254 -11.892 1.00 0.00 C +ATOM 17 C UNL A 1 28.565 20.538 -10.952 1.00 0.00 C +ATOM 18 C UNL A 1 29.054 20.533 -12.267 1.00 0.00 C +ATOM 19 C UNL A 1 29.485 20.251 -9.936 1.00 0.00 C +ATOM 20 C UNL A 1 30.406 20.323 -12.496 1.00 0.00 C +ATOM 21 C UNL A 1 30.821 20.059 -10.259 1.00 0.00 C +ATOM 22 N UNL A 1 31.304 20.097 -11.518 1.00 0.00 N +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 16 15 17 8 +CONECT 15 16 14 +CONECT 16 15 14 +CONECT 17 18 18 14 19 +CONECT 18 20 17 17 +CONECT 19 17 21 21 +CONECT 20 18 22 22 +CONECT 21 22 19 19 +CONECT 22 20 20 21 +MASTER 0 0 0 0 0 0 0 0 22 0 22 0 +END diff --git a/s2232825_cmpx.pdb b/s2232825_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..5975f0d74fc76ea9db69f5a86beaab361a21a773 --- /dev/null +++ b/s2232825_cmpx.pdb @@ -0,0 +1,1612 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.9 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(N=C3CCc4ccccc43)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 19 9 20 10 21 11 22 12 9 14 +REMARK SMILES IDX 10 15 11 16 18 17 12 18 13 19 17 20 14 21 16 22 15 23 +REMARK H PARENT 22 13 +COMPND /tmp/tmp8vixwl3o/58430082_s2232825_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.634 16.048 -7.671 1.00 0.00 O +ATOM 2 C UNL A 1 22.673 16.710 -7.677 1.00 0.00 C +ATOM 3 C UNL A 1 22.815 17.991 -6.835 1.00 0.00 C +ATOM 4 O UNL A 1 24.078 18.449 -6.376 1.00 0.00 O +ATOM 5 C UNL A 1 24.827 18.972 -7.389 1.00 0.00 C +ATOM 6 C UNL A 1 25.164 20.323 -7.342 1.00 0.00 C +ATOM 7 C UNL A 1 26.021 20.858 -8.305 1.00 0.00 C +ATOM 8 C UNL A 1 26.552 20.060 -9.321 1.00 0.00 C +ATOM 9 C UNL A 1 26.145 18.718 -9.388 1.00 0.00 C +ATOM 10 C UNL A 1 25.331 18.147 -8.397 1.00 0.00 C +ATOM 11 C UNL A 1 25.063 16.675 -8.355 1.00 0.00 C +ATOM 12 N UNL A 1 23.674 16.340 -8.531 1.00 0.00 N +ATOM 13 H UNL A 1 23.465 15.466 -8.994 1.00 0.00 H +ATOM 14 N UNL A 1 27.373 20.673 -10.284 1.00 0.00 N +ATOM 15 C UNL A 1 28.650 20.771 -10.152 1.00 0.00 C +ATOM 16 C UNL A 1 29.513 21.159 -8.970 1.00 0.00 C +ATOM 17 C UNL A 1 29.592 20.427 -11.223 1.00 0.00 C +ATOM 18 C UNL A 1 30.643 20.132 -9.106 1.00 0.00 C +ATOM 19 C UNL A 1 30.801 20.117 -10.598 1.00 0.00 C +ATOM 20 C UNL A 1 29.455 20.512 -12.593 1.00 0.00 C +ATOM 21 C UNL A 1 31.938 19.881 -11.348 1.00 0.00 C +ATOM 22 C UNL A 1 30.609 20.312 -13.354 1.00 0.00 C +ATOM 23 C UNL A 1 31.838 20.006 -12.735 1.00 0.00 C +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 15 8 +CONECT 15 17 14 16 +CONECT 16 15 18 +CONECT 17 20 20 19 15 +CONECT 18 19 16 +CONECT 19 21 21 17 18 +CONECT 20 22 17 17 +CONECT 21 23 19 19 +CONECT 22 23 23 20 +CONECT 23 22 22 21 +MASTER 0 0 0 0 0 0 0 0 23 0 23 0 +END diff --git a/s2238419_cmpx.pdb b/s2238419_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..2a1772af2de145674e92eee112a765f603d62d0d --- /dev/null +++ b/s2238419_cmpx.pdb @@ -0,0 +1,1614 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.7 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc([C@@H]3CCNc4ccccc43)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 19 9 20 10 21 11 22 12 9 14 +REMARK SMILES IDX 10 15 18 16 11 17 13 18 17 19 12 20 14 21 16 22 15 23 +REMARK H PARENT 22 13 12 24 +COMPND /tmp/tmpnt43s_tt/64920882_s2238419_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.468 15.984 -7.502 1.00 0.00 O +ATOM 2 C UNL A 1 22.486 16.671 -7.597 1.00 0.00 C +ATOM 3 C UNL A 1 22.709 17.894 -6.699 1.00 0.00 C +ATOM 4 O UNL A 1 24.012 18.318 -6.359 1.00 0.00 O +ATOM 5 C UNL A 1 24.655 18.909 -7.411 1.00 0.00 C +ATOM 6 C UNL A 1 24.989 20.256 -7.288 1.00 0.00 C +ATOM 7 C UNL A 1 25.847 20.843 -8.221 1.00 0.00 C +ATOM 8 C UNL A 1 26.400 20.081 -9.256 1.00 0.00 C +ATOM 9 C UNL A 1 25.978 18.747 -9.410 1.00 0.00 C +ATOM 10 C UNL A 1 25.104 18.148 -8.484 1.00 0.00 C +ATOM 11 C UNL A 1 24.784 16.684 -8.570 1.00 0.00 C +ATOM 12 N UNL A 1 23.369 16.388 -8.599 1.00 0.00 N +ATOM 13 H UNL A 1 23.098 15.548 -9.095 1.00 0.00 H +ATOM 14 C UNL A 1 27.491 20.697 -10.136 1.00 0.00 C +ATOM 15 C UNL A 1 28.687 21.177 -9.293 1.00 0.00 C +ATOM 16 C UNL A 1 26.961 21.736 -11.103 1.00 0.00 C +ATOM 17 C UNL A 1 29.050 22.649 -9.445 1.00 0.00 C +ATOM 18 C UNL A 1 27.209 23.095 -10.872 1.00 0.00 C +ATOM 19 C UNL A 1 26.152 21.354 -12.188 1.00 0.00 C +ATOM 20 N UNL A 1 27.907 23.512 -9.721 1.00 0.00 N +ATOM 21 C UNL A 1 26.619 24.053 -11.699 1.00 0.00 C +ATOM 22 C UNL A 1 25.595 22.316 -13.028 1.00 0.00 C +ATOM 23 C UNL A 1 25.832 23.667 -12.786 1.00 0.00 C +ATOM 24 H UNL A 1 27.257 23.524 -8.934 1.00 0.00 H +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 16 15 8 +CONECT 15 14 17 +CONECT 16 19 19 18 14 +CONECT 17 20 15 +CONECT 18 21 21 16 20 +CONECT 19 22 16 16 +CONECT 20 18 17 24 +CONECT 21 23 18 18 +CONECT 22 23 23 19 +CONECT 23 22 22 21 +CONECT 24 20 +MASTER 0 0 0 0 0 0 0 0 24 0 24 0 +END diff --git a/s2283930_cmpx.pdb b/s2283930_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..7ad6c35722e0370239196bf1a91dd136c6d1eb95 --- /dev/null +++ b/s2283930_cmpx.pdb @@ -0,0 +1,1612 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.5 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(C3(c4ncccn4)CCC3)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 19 9 20 10 21 11 22 12 9 14 +REMARK SMILES IDX 16 15 18 16 17 17 10 18 11 19 15 20 12 21 14 22 13 23 +REMARK H PARENT 22 13 +COMPND /tmp/tmpai9xm8i_/64943355_s2283930_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.817 16.118 -7.747 1.00 0.00 O +ATOM 2 C UNL A 1 22.867 16.767 -7.718 1.00 0.00 C +ATOM 3 C UNL A 1 23.050 17.949 -6.748 1.00 0.00 C +ATOM 4 O UNL A 1 24.337 18.378 -6.325 1.00 0.00 O +ATOM 5 C UNL A 1 24.986 19.026 -7.338 1.00 0.00 C +ATOM 6 C UNL A 1 25.246 20.384 -7.212 1.00 0.00 C +ATOM 7 C UNL A 1 25.918 21.057 -8.238 1.00 0.00 C +ATOM 8 C UNL A 1 26.363 20.394 -9.403 1.00 0.00 C +ATOM 9 C UNL A 1 26.095 19.008 -9.473 1.00 0.00 C +ATOM 10 C UNL A 1 25.431 18.315 -8.449 1.00 0.00 C +ATOM 11 C UNL A 1 25.226 16.835 -8.509 1.00 0.00 C +ATOM 12 N UNL A 1 23.836 16.473 -8.633 1.00 0.00 N +ATOM 13 H UNL A 1 23.611 15.662 -9.193 1.00 0.00 H +ATOM 14 C UNL A 1 27.164 21.157 -10.588 1.00 0.00 C +ATOM 15 C UNL A 1 28.088 20.234 -11.494 1.00 0.00 C +ATOM 16 C UNL A 1 28.536 21.834 -10.170 1.00 0.00 C +ATOM 17 C UNL A 1 29.100 21.395 -11.535 1.00 0.00 C +ATOM 18 C UNL A 1 26.147 22.051 -11.424 1.00 0.00 C +ATOM 19 N UNL A 1 26.090 23.370 -11.141 1.00 0.00 N +ATOM 20 N UNL A 1 25.547 21.472 -12.486 1.00 0.00 N +ATOM 21 C UNL A 1 25.401 24.138 -12.003 1.00 0.00 C +ATOM 22 C UNL A 1 24.858 22.289 -13.303 1.00 0.00 C +ATOM 23 C UNL A 1 24.765 23.647 -13.118 1.00 0.00 C +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 15 18 16 8 +CONECT 15 17 14 +CONECT 16 17 14 +CONECT 17 15 16 +CONECT 18 20 19 19 14 +CONECT 19 21 18 18 +CONECT 20 22 22 18 +CONECT 21 23 23 19 +CONECT 22 23 20 20 +CONECT 23 22 21 21 +MASTER 0 0 0 0 0 0 0 0 23 0 23 0 +END diff --git a/s2284235_cmpx.pdb b/s2284235_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..a2ceddac0178b197d079cfb2944aee71958682eb --- /dev/null +++ b/s2284235_cmpx.pdb @@ -0,0 +1,1612 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.9 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc([C@@H]3COc4ccc(F)cc43)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 19 9 20 10 21 11 22 12 9 14 +REMARK SMILES IDX 10 15 18 16 11 17 12 18 17 19 13 20 15 21 14 22 16 23 +REMARK H PARENT 22 13 +COMPND /tmp/tmphr14pk6p/64943607_s2284235_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.530 16.024 -7.508 1.00 0.00 O +ATOM 2 C UNL A 1 22.554 16.705 -7.614 1.00 0.00 C +ATOM 3 C UNL A 1 22.777 17.954 -6.749 1.00 0.00 C +ATOM 4 O UNL A 1 24.086 18.349 -6.380 1.00 0.00 O +ATOM 5 C UNL A 1 24.746 18.933 -7.424 1.00 0.00 C +ATOM 6 C UNL A 1 25.119 20.269 -7.294 1.00 0.00 C +ATOM 7 C UNL A 1 25.921 20.864 -8.270 1.00 0.00 C +ATOM 8 C UNL A 1 26.366 20.124 -9.375 1.00 0.00 C +ATOM 9 C UNL A 1 25.941 18.788 -9.506 1.00 0.00 C +ATOM 10 C UNL A 1 25.148 18.176 -8.524 1.00 0.00 C +ATOM 11 C UNL A 1 24.852 16.710 -8.578 1.00 0.00 C +ATOM 12 N UNL A 1 23.443 16.394 -8.601 1.00 0.00 N +ATOM 13 H UNL A 1 23.184 15.536 -9.072 1.00 0.00 H +ATOM 14 C UNL A 1 27.359 20.746 -10.342 1.00 0.00 C +ATOM 15 C UNL A 1 28.393 21.686 -9.690 1.00 0.00 C +ATOM 16 C UNL A 1 26.730 21.717 -11.284 1.00 0.00 C +ATOM 17 O UNL A 1 28.006 23.066 -9.909 1.00 0.00 O +ATOM 18 C UNL A 1 27.131 23.006 -10.961 1.00 0.00 C +ATOM 19 C UNL A 1 25.802 21.497 -12.289 1.00 0.00 C +ATOM 20 C UNL A 1 26.628 24.116 -11.611 1.00 0.00 C +ATOM 21 C UNL A 1 25.289 22.609 -12.955 1.00 0.00 C +ATOM 22 C UNL A 1 25.692 23.908 -12.627 1.00 0.00 C +ATOM 23 F UNL A 1 24.375 22.432 -13.918 1.00 0.00 F +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 16 15 8 +CONECT 15 14 17 +CONECT 16 19 19 18 14 +CONECT 17 18 15 +CONECT 18 20 20 16 17 +CONECT 19 21 16 16 +CONECT 20 22 18 18 +CONECT 21 23 22 22 19 +CONECT 22 21 21 20 +CONECT 23 21 +MASTER 0 0 0 0 0 0 0 0 23 0 23 0 +END diff --git a/s2323776_cmpx.pdb b/s2323776_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..c285a80cb1b70529636081c2f259a778c69e3513 --- /dev/null +++ b/s2323776_cmpx.pdb @@ -0,0 +1,1608 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.8 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(C34CCC(CC3)CC4)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 17 9 18 10 19 11 20 12 9 14 +REMARK SMILES IDX 10 15 14 16 16 17 11 18 13 19 15 20 12 21 +REMARK H PARENT 20 13 +COMPND /tmp/tmpbh9j_zn2/66215060_s2323776_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.664 16.065 -7.568 1.00 0.00 O +ATOM 2 C UNL A 1 22.651 16.789 -7.686 1.00 0.00 C +ATOM 3 C UNL A 1 22.918 17.978 -6.737 1.00 0.00 C +ATOM 4 O UNL A 1 24.230 18.374 -6.371 1.00 0.00 O +ATOM 5 C UNL A 1 24.881 18.980 -7.405 1.00 0.00 C +ATOM 6 C UNL A 1 25.260 20.317 -7.285 1.00 0.00 C +ATOM 7 C UNL A 1 25.940 20.955 -8.334 1.00 0.00 C +ATOM 8 C UNL A 1 26.265 20.270 -9.521 1.00 0.00 C +ATOM 9 C UNL A 1 25.910 18.913 -9.589 1.00 0.00 C +ATOM 10 C UNL A 1 25.231 18.266 -8.547 1.00 0.00 C +ATOM 11 C UNL A 1 24.897 16.816 -8.656 1.00 0.00 C +ATOM 12 N UNL A 1 23.476 16.615 -8.765 1.00 0.00 N +ATOM 13 H UNL A 1 23.164 15.875 -9.380 1.00 0.00 H +ATOM 14 C UNL A 1 26.967 20.966 -10.695 1.00 0.00 C +ATOM 15 C UNL A 1 26.005 21.144 -11.902 1.00 0.00 C +ATOM 16 C UNL A 1 28.179 20.123 -11.178 1.00 0.00 C +ATOM 17 C UNL A 1 27.515 22.385 -10.337 1.00 0.00 C +ATOM 18 C UNL A 1 26.722 21.819 -13.082 1.00 0.00 C +ATOM 19 C UNL A 1 28.891 20.801 -12.358 1.00 0.00 C +ATOM 20 C UNL A 1 28.222 23.044 -11.523 1.00 0.00 C +ATOM 21 C UNL A 1 28.189 22.113 -12.735 1.00 0.00 C +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 15 16 17 8 +CONECT 15 18 14 +CONECT 16 19 14 +CONECT 17 20 14 +CONECT 18 21 15 +CONECT 19 21 16 +CONECT 20 21 17 +CONECT 21 18 19 20 +MASTER 0 0 0 0 0 0 0 0 21 0 21 0 +END diff --git a/s2350881_cmpx.pdb b/s2350881_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..77b27c72ba1b9ef7cf43f56a6a9f0dec0dd47823 --- /dev/null +++ b/s2350881_cmpx.pdb @@ -0,0 +1,1612 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.6 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(N3CCc4cnccc4C3)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 19 9 20 10 21 11 22 12 9 14 +REMARK SMILES IDX 10 15 18 16 11 17 17 18 12 19 16 20 13 21 15 22 14 23 +REMARK H PARENT 22 13 +COMPND /tmp/tmpzkv1z11r/58490237_s2350881_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.851 16.063 -7.701 1.00 0.00 O +ATOM 2 C UNL A 1 22.880 16.741 -7.715 1.00 0.00 C +ATOM 3 C UNL A 1 23.047 17.963 -6.798 1.00 0.00 C +ATOM 4 O UNL A 1 24.337 18.389 -6.382 1.00 0.00 O +ATOM 5 C UNL A 1 24.982 19.028 -7.402 1.00 0.00 C +ATOM 6 C UNL A 1 25.240 20.385 -7.285 1.00 0.00 C +ATOM 7 C UNL A 1 25.894 21.054 -8.325 1.00 0.00 C +ATOM 8 C UNL A 1 26.310 20.388 -9.494 1.00 0.00 C +ATOM 9 C UNL A 1 26.076 19.005 -9.547 1.00 0.00 C +ATOM 10 C UNL A 1 25.427 18.317 -8.512 1.00 0.00 C +ATOM 11 C UNL A 1 25.226 16.831 -8.563 1.00 0.00 C +ATOM 12 N UNL A 1 23.837 16.448 -8.644 1.00 0.00 N +ATOM 13 H UNL A 1 23.621 15.607 -9.163 1.00 0.00 H +ATOM 14 N UNL A 1 26.903 21.058 -10.557 1.00 0.00 N +ATOM 15 C UNL A 1 26.109 21.404 -11.755 1.00 0.00 C +ATOM 16 C UNL A 1 28.361 21.240 -10.617 1.00 0.00 C +ATOM 17 C UNL A 1 26.877 22.343 -12.709 1.00 0.00 C +ATOM 18 C UNL A 1 28.863 21.034 -12.024 1.00 0.00 C +ATOM 19 C UNL A 1 28.170 21.670 -13.063 1.00 0.00 C +ATOM 20 C UNL A 1 29.964 20.240 -12.331 1.00 0.00 C +ATOM 21 C UNL A 1 28.661 21.563 -14.352 1.00 0.00 C +ATOM 22 C UNL A 1 30.344 20.148 -13.659 1.00 0.00 C +ATOM 23 N UNL A 1 29.738 20.812 -14.672 1.00 0.00 N +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 15 16 8 +CONECT 15 17 14 +CONECT 16 18 14 +CONECT 17 19 15 +CONECT 18 19 19 20 16 +CONECT 19 21 17 18 18 +CONECT 20 22 22 18 +CONECT 21 23 23 19 +CONECT 22 23 20 20 +CONECT 23 21 21 22 +MASTER 0 0 0 0 0 0 0 0 23 0 23 0 +END diff --git a/s2369992_cmpx.pdb b/s2369992_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..abe464dc80e5d5192637a401342608a02b47aa96 --- /dev/null +++ b/s2369992_cmpx.pdb @@ -0,0 +1,1608 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.5 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(C(=O)N3CCSCC3)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 17 9 18 10 19 11 20 12 9 14 +REMARK SMILES IDX 11 15 12 16 16 17 13 18 15 19 14 20 10 21 +REMARK H PARENT 20 13 +COMPND /tmp/tmpv4lx4oc2/58500097_s2369992_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.627 16.071 -7.613 1.00 0.00 O +ATOM 2 C UNL A 1 22.681 16.712 -7.645 1.00 0.00 C +ATOM 3 C UNL A 1 22.869 17.994 -6.810 1.00 0.00 C +ATOM 4 O UNL A 1 24.157 18.406 -6.366 1.00 0.00 O +ATOM 5 C UNL A 1 24.882 18.938 -7.397 1.00 0.00 C +ATOM 6 C UNL A 1 25.230 20.283 -7.350 1.00 0.00 C +ATOM 7 C UNL A 1 25.995 20.832 -8.384 1.00 0.00 C +ATOM 8 C UNL A 1 26.403 20.032 -9.462 1.00 0.00 C +ATOM 9 C UNL A 1 26.004 18.693 -9.514 1.00 0.00 C +ATOM 10 C UNL A 1 25.302 18.118 -8.448 1.00 0.00 C +ATOM 11 C UNL A 1 25.045 16.646 -8.386 1.00 0.00 C +ATOM 12 N UNL A 1 23.652 16.317 -8.519 1.00 0.00 N +ATOM 13 H UNL A 1 23.422 15.443 -8.975 1.00 0.00 H +ATOM 14 C UNL A 1 27.193 20.663 -10.555 1.00 0.00 C +ATOM 15 N UNL A 1 28.560 20.907 -10.407 1.00 0.00 N +ATOM 16 C UNL A 1 29.357 20.789 -9.178 1.00 0.00 C +ATOM 17 C UNL A 1 29.305 21.434 -11.557 1.00 0.00 C +ATOM 18 C UNL A 1 30.464 19.741 -9.326 1.00 0.00 C +ATOM 19 C UNL A 1 30.449 20.508 -11.981 1.00 0.00 C +ATOM 20 S UNL A 1 31.649 20.206 -10.634 1.00 0.00 S +ATOM 21 O UNL A 1 26.577 20.953 -11.581 1.00 0.00 O +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 21 21 15 8 +CONECT 15 17 14 16 +CONECT 16 15 18 +CONECT 17 19 15 +CONECT 18 20 16 +CONECT 19 17 20 +CONECT 20 19 18 +CONECT 21 14 14 +MASTER 0 0 0 0 0 0 0 0 21 0 21 0 +END diff --git a/s2371489_cmpx.pdb b/s2371489_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..78b7ab640c0aeefecc6d419c55de997c14999e13 --- /dev/null +++ b/s2371489_cmpx.pdb @@ -0,0 +1,1610 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.7 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc([C@]34CC[C@H](CC3)NC4)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 17 9 18 10 19 11 20 12 9 14 +REMARK SMILES IDX 10 15 14 16 16 17 11 18 13 19 15 20 12 21 +REMARK H PARENT 20 13 15 22 +COMPND /tmp/tmp4vu8x731/58500772_s2371489_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.692 16.011 -7.624 1.00 0.00 O +ATOM 2 C UNL A 1 22.671 16.754 -7.709 1.00 0.00 C +ATOM 3 C UNL A 1 22.851 17.979 -6.789 1.00 0.00 C +ATOM 4 O UNL A 1 24.140 18.405 -6.366 1.00 0.00 O +ATOM 5 C UNL A 1 24.820 19.015 -7.378 1.00 0.00 C +ATOM 6 C UNL A 1 25.144 20.361 -7.253 1.00 0.00 C +ATOM 7 C UNL A 1 25.866 21.002 -8.269 1.00 0.00 C +ATOM 8 C UNL A 1 26.291 20.308 -9.414 1.00 0.00 C +ATOM 9 C UNL A 1 25.982 18.937 -9.492 1.00 0.00 C +ATOM 10 C UNL A 1 25.259 18.286 -8.480 1.00 0.00 C +ATOM 11 C UNL A 1 24.970 16.821 -8.565 1.00 0.00 C +ATOM 12 N UNL A 1 23.562 16.558 -8.729 1.00 0.00 N +ATOM 13 H UNL A 1 23.313 15.761 -9.301 1.00 0.00 H +ATOM 14 C UNL A 1 27.055 20.983 -10.559 1.00 0.00 C +ATOM 15 C UNL A 1 26.127 21.182 -11.792 1.00 0.00 C +ATOM 16 C UNL A 1 28.263 20.118 -11.014 1.00 0.00 C +ATOM 17 C UNL A 1 27.625 22.392 -10.210 1.00 0.00 C +ATOM 18 C UNL A 1 26.886 21.885 -12.925 1.00 0.00 C +ATOM 19 C UNL A 1 29.026 20.823 -12.145 1.00 0.00 C +ATOM 20 N UNL A 1 28.355 23.017 -11.329 1.00 0.00 N +ATOM 21 C UNL A 1 28.340 22.147 -12.512 1.00 0.00 C +ATOM 22 H UNL A 1 27.919 23.911 -11.554 1.00 0.00 H +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 15 16 17 8 +CONECT 15 18 14 +CONECT 16 19 14 +CONECT 17 20 14 +CONECT 18 21 15 +CONECT 19 21 16 +CONECT 20 21 22 17 +CONECT 21 18 19 20 +CONECT 22 20 +MASTER 0 0 0 0 0 0 0 0 22 0 22 0 +END diff --git a/s237999_cmpx.pdb b/s237999_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..298dba17e6fc1eea031e7e2ff70f16b74ec5fa3b --- /dev/null +++ b/s237999_cmpx.pdb @@ -0,0 +1,1606 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.4 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(Cc3ccccn3)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 16 9 17 10 18 11 19 12 9 14 +REMARK SMILES IDX 10 15 11 16 15 17 12 18 14 19 13 20 +REMARK H PARENT 19 13 +COMPND /tmp/tmp9u1h1c5j/66244269_s237999_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.715 16.078 -7.644 1.00 0.00 O +ATOM 2 C UNL A 1 22.758 16.733 -7.682 1.00 0.00 C +ATOM 3 C UNL A 1 22.939 17.997 -6.824 1.00 0.00 C +ATOM 4 O UNL A 1 24.229 18.416 -6.404 1.00 0.00 O +ATOM 5 C UNL A 1 24.919 18.978 -7.443 1.00 0.00 C +ATOM 6 C UNL A 1 25.214 20.337 -7.383 1.00 0.00 C +ATOM 7 C UNL A 1 25.959 20.925 -8.405 1.00 0.00 C +ATOM 8 C UNL A 1 26.421 20.154 -9.482 1.00 0.00 C +ATOM 9 C UNL A 1 26.119 18.782 -9.519 1.00 0.00 C +ATOM 10 C UNL A 1 25.380 18.182 -8.492 1.00 0.00 C +ATOM 11 C UNL A 1 25.121 16.707 -8.472 1.00 0.00 C +ATOM 12 N UNL A 1 23.722 16.375 -8.581 1.00 0.00 N +ATOM 13 H UNL A 1 23.489 15.515 -9.063 1.00 0.00 H +ATOM 14 C UNL A 1 27.210 20.791 -10.605 1.00 0.00 C +ATOM 15 C UNL A 1 28.691 20.495 -10.544 1.00 0.00 C +ATOM 16 C UNL A 1 29.305 20.201 -9.328 1.00 0.00 C +ATOM 17 N UNL A 1 29.381 20.541 -11.712 1.00 0.00 N +ATOM 18 C UNL A 1 30.677 19.967 -9.301 1.00 0.00 C +ATOM 19 C UNL A 1 30.711 20.302 -11.656 1.00 0.00 C +ATOM 20 C UNL A 1 31.397 20.020 -10.487 1.00 0.00 C +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 15 8 +CONECT 15 17 17 14 16 +CONECT 16 15 18 18 +CONECT 17 19 15 15 +CONECT 18 20 16 16 +CONECT 19 17 20 20 +CONECT 20 19 19 18 +MASTER 0 0 0 0 0 0 0 0 20 0 20 0 +END diff --git a/s2412827_cmpx.pdb b/s2412827_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..3108320efd23a44e0c5b1e294cad697beb3c00bf --- /dev/null +++ b/s2412827_cmpx.pdb @@ -0,0 +1,1606 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.6 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(Cc3ccnnc3)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 16 9 17 10 18 11 19 12 9 14 +REMARK SMILES IDX 10 15 11 16 15 17 12 18 14 19 13 20 +REMARK H PARENT 19 13 +COMPND /tmp/tmpv7zqynnm/66261387_s2412827_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.428 16.077 -7.661 1.00 0.00 O +ATOM 2 C UNL A 1 22.483 16.715 -7.665 1.00 0.00 C +ATOM 3 C UNL A 1 22.692 17.928 -6.741 1.00 0.00 C +ATOM 4 O UNL A 1 23.986 18.283 -6.277 1.00 0.00 O +ATOM 5 C UNL A 1 24.721 18.857 -7.278 1.00 0.00 C +ATOM 6 C UNL A 1 25.046 20.209 -7.185 1.00 0.00 C +ATOM 7 C UNL A 1 25.822 20.803 -8.180 1.00 0.00 C +ATOM 8 C UNL A 1 26.307 20.043 -9.255 1.00 0.00 C +ATOM 9 C UNL A 1 25.973 18.681 -9.327 1.00 0.00 C +ATOM 10 C UNL A 1 25.184 18.079 -8.341 1.00 0.00 C +ATOM 11 C UNL A 1 24.847 16.621 -8.393 1.00 0.00 C +ATOM 12 N UNL A 1 23.438 16.391 -8.587 1.00 0.00 N +ATOM 13 H UNL A 1 23.175 15.583 -9.136 1.00 0.00 H +ATOM 14 C UNL A 1 27.168 20.666 -10.330 1.00 0.00 C +ATOM 15 C UNL A 1 28.634 20.354 -10.186 1.00 0.00 C +ATOM 16 C UNL A 1 29.505 20.445 -11.270 1.00 0.00 C +ATOM 17 C UNL A 1 29.168 19.929 -8.979 1.00 0.00 C +ATOM 18 C UNL A 1 30.829 20.097 -11.077 1.00 0.00 C +ATOM 19 N UNL A 1 30.471 19.608 -8.821 1.00 0.00 N +ATOM 20 N UNL A 1 31.310 19.688 -9.886 1.00 0.00 N +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 15 8 +CONECT 15 16 16 14 17 +CONECT 16 18 15 15 +CONECT 17 15 19 19 +CONECT 18 16 20 20 +CONECT 19 20 17 17 +CONECT 20 18 18 19 +MASTER 0 0 0 0 0 0 0 0 20 0 20 0 +END diff --git a/s2422155_cmpx.pdb b/s2422155_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..86c6d6f956cd6e7f2d9e3f2e4a1caadcc6a6f8b0 --- /dev/null +++ b/s2422155_cmpx.pdb @@ -0,0 +1,1608 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.6 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(C(=O)C3CCCCC3)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 17 9 18 10 19 11 20 12 9 14 +REMARK SMILES IDX 10 15 11 16 12 17 16 18 13 19 15 20 14 21 +REMARK H PARENT 20 13 +COMPND /tmp/tmpfl1l8kjv/66265830_s2422155_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.723 16.068 -7.657 1.00 0.00 O +ATOM 2 C UNL A 1 22.741 16.760 -7.708 1.00 0.00 C +ATOM 3 C UNL A 1 22.915 18.004 -6.819 1.00 0.00 C +ATOM 4 O UNL A 1 24.203 18.415 -6.381 1.00 0.00 O +ATOM 5 C UNL A 1 24.898 19.013 -7.395 1.00 0.00 C +ATOM 6 C UNL A 1 25.211 20.367 -7.279 1.00 0.00 C +ATOM 7 C UNL A 1 25.947 20.998 -8.286 1.00 0.00 C +ATOM 8 C UNL A 1 26.383 20.266 -9.393 1.00 0.00 C +ATOM 9 C UNL A 1 26.093 18.896 -9.479 1.00 0.00 C +ATOM 10 C UNL A 1 25.349 18.257 -8.477 1.00 0.00 C +ATOM 11 C UNL A 1 25.082 16.784 -8.526 1.00 0.00 C +ATOM 12 N UNL A 1 23.680 16.474 -8.659 1.00 0.00 N +ATOM 13 H UNL A 1 23.449 15.632 -9.170 1.00 0.00 H +ATOM 14 C UNL A 1 27.191 20.873 -10.495 1.00 0.00 C +ATOM 15 O UNL A 1 26.793 21.934 -10.973 1.00 0.00 O +ATOM 16 C UNL A 1 28.483 20.187 -10.957 1.00 0.00 C +ATOM 17 C UNL A 1 29.596 20.408 -9.919 1.00 0.00 C +ATOM 18 C UNL A 1 28.887 20.730 -12.342 1.00 0.00 C +ATOM 19 C UNL A 1 30.967 19.946 -10.409 1.00 0.00 C +ATOM 20 C UNL A 1 30.266 20.259 -12.791 1.00 0.00 C +ATOM 21 C UNL A 1 31.325 20.580 -11.747 1.00 0.00 C +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 15 15 16 8 +CONECT 15 14 14 +CONECT 16 18 14 17 +CONECT 17 16 19 +CONECT 18 20 16 +CONECT 19 21 17 +CONECT 20 18 21 +CONECT 21 20 19 +MASTER 0 0 0 0 0 0 0 0 21 0 21 0 +END diff --git a/s24294_cmpx.pdb b/s24294_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..d8d3f8839a9c17f9beac9390e1d17d59ba5b7470 --- /dev/null +++ b/s24294_cmpx.pdb @@ -0,0 +1,1614 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.6 0.000 0.000 +REMARK CORE C12=CC=CC=C1NCCO2 +REMARK SMILES O=C1COc2ccc([C@H]3CNc4ccccc4O3)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 19 9 20 10 21 11 22 12 9 14 +REMARK SMILES IDX 10 15 18 16 11 17 17 18 12 19 16 20 13 21 15 22 14 23 +REMARK H PARENT 22 13 11 24 +COMPND /tmp/tmpcj4ci6u8/66269899_s24294_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.647 16.128 -7.739 1.00 0.00 O +ATOM 2 C UNL A 1 22.699 16.766 -7.707 1.00 0.00 C +ATOM 3 C UNL A 1 22.895 17.939 -6.732 1.00 0.00 C +ATOM 4 O UNL A 1 24.188 18.350 -6.317 1.00 0.00 O +ATOM 5 C UNL A 1 24.846 18.998 -7.325 1.00 0.00 C +ATOM 6 C UNL A 1 25.125 20.352 -7.173 1.00 0.00 C +ATOM 7 C UNL A 1 25.847 21.024 -8.161 1.00 0.00 C +ATOM 8 C UNL A 1 26.301 20.343 -9.302 1.00 0.00 C +ATOM 9 C UNL A 1 26.025 18.969 -9.427 1.00 0.00 C +ATOM 10 C UNL A 1 25.303 18.286 -8.435 1.00 0.00 C +ATOM 11 C UNL A 1 25.063 16.809 -8.510 1.00 0.00 C +ATOM 12 N UNL A 1 23.666 16.470 -8.627 1.00 0.00 N +ATOM 13 H UNL A 1 23.429 15.657 -9.182 1.00 0.00 H +ATOM 14 C UNL A 1 27.133 21.080 -10.342 1.00 0.00 C +ATOM 15 C UNL A 1 28.627 20.657 -10.262 1.00 0.00 C +ATOM 16 O UNL A 1 26.507 20.930 -11.631 1.00 0.00 O +ATOM 17 N UNL A 1 29.236 20.239 -11.536 1.00 0.00 N +ATOM 18 C UNL A 1 27.346 21.325 -12.640 1.00 0.00 C +ATOM 19 C UNL A 1 28.714 21.023 -12.591 1.00 0.00 C +ATOM 20 C UNL A 1 26.795 21.975 -13.740 1.00 0.00 C +ATOM 21 C UNL A 1 29.523 21.360 -13.675 1.00 0.00 C +ATOM 22 C UNL A 1 27.623 22.358 -14.795 1.00 0.00 C +ATOM 23 C UNL A 1 28.984 22.051 -14.762 1.00 0.00 C +ATOM 24 H UNL A 1 28.965 19.274 -11.738 1.00 0.00 H +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 16 15 8 +CONECT 15 17 14 +CONECT 16 18 14 +CONECT 17 19 24 15 +CONECT 18 20 20 19 16 +CONECT 19 21 21 18 17 +CONECT 20 22 18 18 +CONECT 21 23 19 19 +CONECT 22 23 23 20 +CONECT 23 22 22 21 +CONECT 24 17 +MASTER 0 0 0 0 0 0 0 0 24 0 24 0 +END diff --git a/s2449848_cmpx.pdb b/s2449848_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..11a45536a08086f04fbc15f69912051bda3b9108 --- /dev/null +++ b/s2449848_cmpx.pdb @@ -0,0 +1,1610 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.8 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(N3Cc4ccccc4C3)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 18 9 19 10 20 11 21 12 9 14 +REMARK SMILES IDX 10 15 17 16 11 17 16 18 12 19 15 20 13 21 14 22 +REMARK H PARENT 21 13 +COMPND /tmp/tmp24xxangc/65028997_s2449848_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.905 16.073 -7.739 1.00 0.00 O +ATOM 2 C UNL A 1 22.898 16.799 -7.734 1.00 0.00 C +ATOM 3 C UNL A 1 22.996 18.008 -6.796 1.00 0.00 C +ATOM 4 O UNL A 1 24.258 18.475 -6.357 1.00 0.00 O +ATOM 5 C UNL A 1 24.917 19.141 -7.352 1.00 0.00 C +ATOM 6 C UNL A 1 25.164 20.493 -7.175 1.00 0.00 C +ATOM 7 C UNL A 1 26.011 21.157 -8.060 1.00 0.00 C +ATOM 8 C UNL A 1 26.657 20.478 -9.104 1.00 0.00 C +ATOM 9 C UNL A 1 26.304 19.138 -9.324 1.00 0.00 C +ATOM 10 C UNL A 1 25.457 18.449 -8.436 1.00 0.00 C +ATOM 11 C UNL A 1 25.259 16.967 -8.542 1.00 0.00 C +ATOM 12 N UNL A 1 23.875 16.566 -8.659 1.00 0.00 N +ATOM 13 H UNL A 1 23.692 15.721 -9.181 1.00 0.00 H +ATOM 14 N UNL A 1 27.710 21.033 -9.817 1.00 0.00 N +ATOM 15 C UNL A 1 29.100 20.852 -9.344 1.00 0.00 C +ATOM 16 C UNL A 1 27.641 21.068 -11.289 1.00 0.00 C +ATOM 17 C UNL A 1 29.861 20.582 -10.614 1.00 0.00 C +ATOM 18 C UNL A 1 29.000 20.629 -11.712 1.00 0.00 C +ATOM 19 C UNL A 1 31.205 20.294 -10.791 1.00 0.00 C +ATOM 20 C UNL A 1 29.431 20.316 -12.991 1.00 0.00 C +ATOM 21 C UNL A 1 31.657 19.997 -12.082 1.00 0.00 C +ATOM 22 C UNL A 1 30.772 19.985 -13.172 1.00 0.00 C +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 16 15 8 +CONECT 15 17 17 14 +CONECT 16 18 18 14 +CONECT 17 18 19 15 15 +CONECT 18 20 16 16 17 +CONECT 19 21 21 17 +CONECT 20 22 22 18 +CONECT 21 22 19 19 +CONECT 22 20 20 21 +MASTER 0 0 0 0 0 0 0 0 22 0 22 0 +END diff --git a/s2450753_cmpx.pdb b/s2450753_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..2d3ee688e6e230ec454ddf919bf16bf2bcb5101a --- /dev/null +++ b/s2450753_cmpx.pdb @@ -0,0 +1,1612 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -9.1 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc([C@@H]3CCc4ccc(F)cc43)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 19 9 20 10 21 11 22 12 9 14 +REMARK SMILES IDX 10 15 18 16 11 17 12 18 17 19 13 20 15 21 14 22 16 23 +REMARK H PARENT 22 13 +COMPND /tmp/tmp1mjx78ub/65029460_s2450753_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.742 15.960 -7.622 1.00 0.00 O +ATOM 2 C UNL A 1 22.716 16.713 -7.693 1.00 0.00 C +ATOM 3 C UNL A 1 22.842 17.947 -6.785 1.00 0.00 C +ATOM 4 O UNL A 1 24.115 18.422 -6.383 1.00 0.00 O +ATOM 5 C UNL A 1 24.741 19.091 -7.396 1.00 0.00 C +ATOM 6 C UNL A 1 25.033 20.439 -7.210 1.00 0.00 C +ATOM 7 C UNL A 1 25.799 21.122 -8.157 1.00 0.00 C +ATOM 8 C UNL A 1 26.280 20.460 -9.295 1.00 0.00 C +ATOM 9 C UNL A 1 25.918 19.114 -9.495 1.00 0.00 C +ATOM 10 C UNL A 1 25.186 18.409 -8.529 1.00 0.00 C +ATOM 11 C UNL A 1 25.014 16.926 -8.631 1.00 0.00 C +ATOM 12 N UNL A 1 23.637 16.495 -8.676 1.00 0.00 N +ATOM 13 H UNL A 1 23.449 15.632 -9.173 1.00 0.00 H +ATOM 14 C UNL A 1 27.249 21.168 -10.221 1.00 0.00 C +ATOM 15 C UNL A 1 27.039 20.843 -11.716 1.00 0.00 C +ATOM 16 C UNL A 1 28.705 20.794 -10.053 1.00 0.00 C +ATOM 17 C UNL A 1 28.395 21.083 -12.401 1.00 0.00 C +ATOM 18 C UNL A 1 29.343 20.724 -11.298 1.00 0.00 C +ATOM 19 C UNL A 1 29.408 20.550 -8.880 1.00 0.00 C +ATOM 20 C UNL A 1 30.686 20.390 -11.400 1.00 0.00 C +ATOM 21 C UNL A 1 30.745 20.184 -8.984 1.00 0.00 C +ATOM 22 C UNL A 1 31.387 20.103 -10.225 1.00 0.00 C +ATOM 23 F UNL A 1 31.431 19.892 -7.871 1.00 0.00 F +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 15 16 8 +CONECT 15 17 14 +CONECT 16 18 18 14 19 +CONECT 17 15 18 +CONECT 18 17 20 16 16 +CONECT 19 16 21 21 +CONECT 20 18 22 22 +CONECT 21 22 19 19 23 +CONECT 22 20 20 21 +CONECT 23 21 +MASTER 0 0 0 0 0 0 0 0 23 0 23 0 +END diff --git a/s2460451_cmpx.pdb b/s2460451_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..38e4305267bfefa38eb7fe72da718f65aa5259b3 --- /dev/null +++ b/s2460451_cmpx.pdb @@ -0,0 +1,1614 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.9 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc([C@H]3CCc4ccccc4N3)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 19 9 20 10 21 11 22 12 9 14 +REMARK SMILES IDX 10 15 18 16 11 17 17 18 12 19 16 20 13 21 15 22 14 23 +REMARK H PARENT 22 13 18 24 +COMPND /tmp/tmpqcjvqqtn/65034835_s2460451_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.631 16.113 -7.697 1.00 0.00 O +ATOM 2 C UNL A 1 22.680 16.762 -7.696 1.00 0.00 C +ATOM 3 C UNL A 1 22.896 17.929 -6.716 1.00 0.00 C +ATOM 4 O UNL A 1 24.193 18.362 -6.342 1.00 0.00 O +ATOM 5 C UNL A 1 24.820 19.008 -7.371 1.00 0.00 C +ATOM 6 C UNL A 1 25.125 20.357 -7.219 1.00 0.00 C +ATOM 7 C UNL A 1 25.857 21.016 -8.208 1.00 0.00 C +ATOM 8 C UNL A 1 26.302 20.331 -9.353 1.00 0.00 C +ATOM 9 C UNL A 1 25.986 18.965 -9.482 1.00 0.00 C +ATOM 10 C UNL A 1 25.256 18.294 -8.489 1.00 0.00 C +ATOM 11 C UNL A 1 25.017 16.817 -8.555 1.00 0.00 C +ATOM 12 N UNL A 1 23.617 16.482 -8.649 1.00 0.00 N +ATOM 13 H UNL A 1 23.369 15.674 -9.205 1.00 0.00 H +ATOM 14 C UNL A 1 27.234 20.994 -10.365 1.00 0.00 C +ATOM 15 C UNL A 1 28.638 20.372 -10.413 1.00 0.00 C +ATOM 16 N UNL A 1 26.533 20.999 -11.651 1.00 0.00 N +ATOM 17 C UNL A 1 29.338 20.401 -11.773 1.00 0.00 C +ATOM 18 C UNL A 1 27.287 21.486 -12.727 1.00 0.00 C +ATOM 19 C UNL A 1 28.654 21.216 -12.831 1.00 0.00 C +ATOM 20 C UNL A 1 26.623 22.095 -13.794 1.00 0.00 C +ATOM 21 C UNL A 1 29.352 21.606 -13.984 1.00 0.00 C +ATOM 22 C UNL A 1 27.320 22.495 -14.934 1.00 0.00 C +ATOM 23 C UNL A 1 28.687 22.253 -15.027 1.00 0.00 C +ATOM 24 H UNL A 1 26.179 20.075 -11.890 1.00 0.00 H +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 16 15 8 +CONECT 15 17 17 14 +CONECT 16 18 24 14 +CONECT 17 19 15 15 +CONECT 18 20 20 19 16 +CONECT 19 21 21 18 17 +CONECT 20 22 18 18 +CONECT 21 23 19 19 +CONECT 22 23 23 20 +CONECT 23 22 22 21 +CONECT 24 16 +MASTER 0 0 0 0 0 0 0 0 24 0 24 0 +END diff --git a/s2462399_cmpx.pdb b/s2462399_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..080f53d7f5911ac3db14695605e87cccc3eb2a9a --- /dev/null +++ b/s2462399_cmpx.pdb @@ -0,0 +1,1612 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.5 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(C3(c4ncccn4)COC3)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 19 9 20 10 21 11 22 12 9 14 +REMARK SMILES IDX 16 15 18 16 17 17 10 18 11 19 15 20 12 21 14 22 13 23 +REMARK H PARENT 22 13 +COMPND /tmp/tmprpm3oqgw/58547737_s2462399_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.808 16.065 -7.755 1.00 0.00 O +ATOM 2 C UNL A 1 22.838 16.737 -7.721 1.00 0.00 C +ATOM 3 C UNL A 1 22.972 17.955 -6.788 1.00 0.00 C +ATOM 4 O UNL A 1 24.239 18.409 -6.331 1.00 0.00 O +ATOM 5 C UNL A 1 24.921 19.039 -7.334 1.00 0.00 C +ATOM 6 C UNL A 1 25.171 20.399 -7.225 1.00 0.00 C +ATOM 7 C UNL A 1 25.884 21.054 -8.235 1.00 0.00 C +ATOM 8 C UNL A 1 26.379 20.372 -9.369 1.00 0.00 C +ATOM 9 C UNL A 1 26.106 18.984 -9.426 1.00 0.00 C +ATOM 10 C UNL A 1 25.407 18.307 -8.415 1.00 0.00 C +ATOM 11 C UNL A 1 25.220 16.824 -8.444 1.00 0.00 C +ATOM 12 N UNL A 1 23.840 16.442 -8.606 1.00 0.00 N +ATOM 13 H UNL A 1 23.646 15.604 -9.138 1.00 0.00 H +ATOM 14 C UNL A 1 27.246 21.116 -10.522 1.00 0.00 C +ATOM 15 C UNL A 1 27.128 22.674 -10.566 1.00 0.00 C +ATOM 16 C UNL A 1 26.583 21.245 -11.928 1.00 0.00 C +ATOM 17 O UNL A 1 26.845 22.666 -11.985 1.00 0.00 O +ATOM 18 C UNL A 1 28.715 20.556 -10.536 1.00 0.00 C +ATOM 19 N UNL A 1 29.360 20.525 -11.722 1.00 0.00 N +ATOM 20 N UNL A 1 29.288 20.265 -9.349 1.00 0.00 N +ATOM 21 C UNL A 1 30.674 20.237 -11.681 1.00 0.00 C +ATOM 22 C UNL A 1 30.605 19.989 -9.370 1.00 0.00 C +ATOM 23 C UNL A 1 31.360 19.976 -10.517 1.00 0.00 C +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 16 15 18 8 +CONECT 15 17 14 +CONECT 16 17 14 +CONECT 17 16 15 +CONECT 18 19 19 14 20 +CONECT 19 21 18 18 +CONECT 20 18 22 22 +CONECT 21 19 23 23 +CONECT 22 23 20 20 +CONECT 23 21 21 22 +MASTER 0 0 0 0 0 0 0 0 23 0 23 0 +END diff --git a/s2464297_cmpx.pdb b/s2464297_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..48e3d7a6e39fbee486fa1df7d6c0212f7fe4b51c --- /dev/null +++ b/s2464297_cmpx.pdb @@ -0,0 +1,1612 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -9.1 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(CC3Cc4ccccc4C3)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 19 9 20 10 21 11 22 12 9 14 +REMARK SMILES IDX 10 15 11 16 18 17 12 18 17 19 13 20 16 21 14 22 15 23 +REMARK H PARENT 22 13 +COMPND /tmp/tmp4krb6p68/65036856_s2464297_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.863 16.044 -7.749 1.00 0.00 O +ATOM 2 C UNL A 1 22.876 16.750 -7.728 1.00 0.00 C +ATOM 3 C UNL A 1 22.955 18.008 -6.849 1.00 0.00 C +ATOM 4 O UNL A 1 24.202 18.471 -6.348 1.00 0.00 O +ATOM 5 C UNL A 1 24.928 19.081 -7.334 1.00 0.00 C +ATOM 6 C UNL A 1 25.177 20.447 -7.232 1.00 0.00 C +ATOM 7 C UNL A 1 25.945 21.094 -8.207 1.00 0.00 C +ATOM 8 C UNL A 1 26.492 20.369 -9.272 1.00 0.00 C +ATOM 9 C UNL A 1 26.232 18.987 -9.347 1.00 0.00 C +ATOM 10 C UNL A 1 25.465 18.330 -8.376 1.00 0.00 C +ATOM 11 C UNL A 1 25.270 16.846 -8.408 1.00 0.00 C +ATOM 12 N UNL A 1 23.892 16.450 -8.588 1.00 0.00 N +ATOM 13 H UNL A 1 23.725 15.581 -9.078 1.00 0.00 H +ATOM 14 C UNL A 1 27.279 21.000 -10.400 1.00 0.00 C +ATOM 15 C UNL A 1 28.443 20.226 -11.029 1.00 0.00 C +ATOM 16 C UNL A 1 28.824 20.660 -12.465 1.00 0.00 C +ATOM 17 C UNL A 1 29.728 20.427 -10.185 1.00 0.00 C +ATOM 18 C UNL A 1 30.287 20.323 -12.498 1.00 0.00 C +ATOM 19 C UNL A 1 30.798 20.201 -11.203 1.00 0.00 C +ATOM 20 C UNL A 1 31.113 20.177 -13.600 1.00 0.00 C +ATOM 21 C UNL A 1 32.142 19.951 -10.977 1.00 0.00 C +ATOM 22 C UNL A 1 32.466 19.900 -13.384 1.00 0.00 C +ATOM 23 C UNL A 1 32.979 19.792 -12.082 1.00 0.00 C +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 15 8 +CONECT 15 16 14 17 +CONECT 16 18 15 +CONECT 17 19 15 +CONECT 18 20 20 16 19 +CONECT 19 18 21 21 17 +CONECT 20 22 18 18 +CONECT 21 23 19 19 +CONECT 22 20 23 23 +CONECT 23 22 22 21 +MASTER 0 0 0 0 0 0 0 0 23 0 23 0 +END diff --git a/s247955_cmpx.pdb b/s247955_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..91ae1934d62acb613f4cc2626f679fe09b4815b8 --- /dev/null +++ b/s247955_cmpx.pdb @@ -0,0 +1,1610 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.6 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc([C@@H]3CNCC(F)(F)C3)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 17 9 18 10 19 11 20 12 9 14 +REMARK SMILES IDX 10 15 16 16 11 17 13 18 12 19 14 21 15 22 +REMARK H PARENT 20 13 11 20 +COMPND /tmp/tmpfj7f62pj/66295445_s247955_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.781 16.117 -7.781 1.00 0.00 O +ATOM 2 C UNL A 1 22.823 16.768 -7.728 1.00 0.00 C +ATOM 3 C UNL A 1 22.989 17.925 -6.729 1.00 0.00 C +ATOM 4 O UNL A 1 24.274 18.354 -6.320 1.00 0.00 O +ATOM 5 C UNL A 1 24.902 19.028 -7.330 1.00 0.00 C +ATOM 6 C UNL A 1 25.121 20.387 -7.180 1.00 0.00 C +ATOM 7 C UNL A 1 25.880 21.068 -8.130 1.00 0.00 C +ATOM 8 C UNL A 1 26.453 20.398 -9.221 1.00 0.00 C +ATOM 9 C UNL A 1 26.175 19.026 -9.376 1.00 0.00 C +ATOM 10 C UNL A 1 25.409 18.332 -8.427 1.00 0.00 C +ATOM 11 C UNL A 1 25.195 16.853 -8.512 1.00 0.00 C +ATOM 12 N UNL A 1 23.802 16.498 -8.642 1.00 0.00 N +ATOM 13 H UNL A 1 23.577 15.695 -9.215 1.00 0.00 H +ATOM 14 C UNL A 1 27.492 21.056 -10.127 1.00 0.00 C +ATOM 15 C UNL A 1 27.514 22.592 -9.925 1.00 0.00 C +ATOM 16 C UNL A 1 27.432 20.711 -11.623 1.00 0.00 C +ATOM 17 N UNL A 1 26.387 23.275 -10.563 1.00 0.00 N +ATOM 18 C UNL A 1 26.389 21.496 -12.402 1.00 0.00 C +ATOM 19 C UNL A 1 26.316 22.983 -12.005 1.00 0.00 C +ATOM 20 H UNL A 1 26.444 24.281 -10.406 1.00 0.00 H +ATOM 21 F UNL A 1 25.172 20.911 -12.268 1.00 0.00 F +ATOM 22 F UNL A 1 26.688 21.413 -13.729 1.00 0.00 F +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 16 15 8 +CONECT 15 17 14 +CONECT 16 18 14 +CONECT 17 19 20 15 +CONECT 18 22 21 19 16 +CONECT 19 18 17 +CONECT 20 17 +CONECT 21 18 +CONECT 22 18 +MASTER 0 0 0 0 0 0 0 0 22 0 22 0 +END diff --git a/s2483763_cmpx.pdb b/s2483763_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..985e641c6636850306cdde1f8d0fc7609ce55257 --- /dev/null +++ b/s2483763_cmpx.pdb @@ -0,0 +1,1612 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -9.3 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(C3(c4ccc(F)cc4)CC3)cc2CN1 +REMARK SMILES IDX 9 1 17 2 18 3 8 4 2 5 3 6 22 7 4 8 21 9 5 10 20 11 6 12 +REMARK SMILES IDX 19 13 7 14 1 15 10 17 11 18 16 19 12 20 15 21 13 22 14 23 +REMARK H PARENT 22 16 +COMPND /tmp/tmpqj6v0m1w/66297686_s2483763_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 C UNL A 1 27.130 20.947 -10.662 1.00 0.00 C +ATOM 2 C UNL A 1 26.688 22.360 -11.041 1.00 0.00 C +ATOM 3 C UNL A 1 26.258 21.217 -11.897 1.00 0.00 C +ATOM 4 C UNL A 1 26.432 20.283 -9.471 1.00 0.00 C +ATOM 5 C UNL A 1 22.821 16.779 -7.728 1.00 0.00 C +ATOM 6 C UNL A 1 22.982 18.021 -6.827 1.00 0.00 C +ATOM 7 N UNL A 1 23.788 16.473 -8.639 1.00 0.00 N +ATOM 8 O UNL A 1 24.256 18.468 -6.382 1.00 0.00 O +ATOM 9 C UNL A 1 25.179 16.803 -8.477 1.00 0.00 C +ATOM 10 C UNL A 1 24.964 19.049 -7.396 1.00 0.00 C +ATOM 11 C UNL A 1 25.426 18.277 -8.461 1.00 0.00 C +ATOM 12 C UNL A 1 25.280 20.402 -7.312 1.00 0.00 C +ATOM 13 C UNL A 1 26.143 18.907 -9.489 1.00 0.00 C +ATOM 14 C UNL A 1 26.007 21.011 -8.344 1.00 0.00 C +ATOM 15 O UNL A 1 21.788 16.099 -7.711 1.00 0.00 O +ATOM 16 H UNL A 1 23.572 15.630 -9.155 1.00 0.00 H +ATOM 17 C UNL A 1 28.570 20.532 -10.985 1.00 0.00 C +ATOM 18 C UNL A 1 29.056 20.589 -12.307 1.00 0.00 C +ATOM 19 C UNL A 1 29.494 20.219 -9.969 1.00 0.00 C +ATOM 20 C UNL A 1 30.415 20.443 -12.591 1.00 0.00 C +ATOM 21 C UNL A 1 30.857 20.079 -10.247 1.00 0.00 C +ATOM 22 C UNL A 1 31.307 20.215 -11.553 1.00 0.00 C +ATOM 23 F UNL A 1 32.619 20.149 -11.812 1.00 0.00 F +CONECT 1 3 2 17 4 +CONECT 2 3 1 +CONECT 3 2 1 +CONECT 4 1 13 13 14 +CONECT 5 7 15 15 6 +CONECT 6 5 8 +CONECT 7 16 9 5 +CONECT 8 10 6 +CONECT 9 7 11 +CONECT 10 11 11 12 8 +CONECT 11 13 9 10 10 +CONECT 12 14 14 10 +CONECT 13 4 4 11 +CONECT 14 4 12 12 +CONECT 15 5 5 +CONECT 16 7 +CONECT 17 18 18 1 19 +CONECT 18 20 17 17 +CONECT 19 17 21 21 +CONECT 20 18 22 22 +CONECT 21 22 19 19 +CONECT 22 20 20 23 21 +CONECT 23 22 +MASTER 0 0 0 0 0 0 0 0 23 0 23 0 +END diff --git a/s2489726_cmpx.pdb b/s2489726_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..de444232e3145b6e590878dfff2c4c2d28af776b --- /dev/null +++ b/s2489726_cmpx.pdb @@ -0,0 +1,1614 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.9 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(-c3ccc4c(c3)[C@@H](O)CC4)cc2CN1 +REMARK SMILES IDX 9 1 10 2 11 3 12 4 13 5 14 6 15 7 17 8 18 9 8 10 2 11 3 12 +REMARK SMILES IDX 22 13 4 14 21 15 5 16 20 17 6 18 19 19 7 20 1 21 16 23 +REMARK H PARENT 22 22 16 24 +COMPND /tmp/tmpl0l03uws/58561947_s2489726_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 C UNL A 1 27.190 20.882 -10.269 1.00 0.00 C +ATOM 2 C UNL A 1 26.455 21.364 -11.383 1.00 0.00 C +ATOM 3 C UNL A 1 27.050 21.522 -12.634 1.00 0.00 C +ATOM 4 C UNL A 1 28.398 21.251 -12.728 1.00 0.00 C +ATOM 5 C UNL A 1 29.190 21.086 -11.587 1.00 0.00 C +ATOM 6 C UNL A 1 28.596 20.883 -10.354 1.00 0.00 C +ATOM 7 C UNL A 1 30.622 20.929 -12.003 1.00 0.00 C +ATOM 8 C UNL A 1 30.375 20.159 -13.302 1.00 0.00 C +ATOM 9 C UNL A 1 29.184 20.893 -13.958 1.00 0.00 C +ATOM 10 C UNL A 1 26.497 20.157 -9.170 1.00 0.00 C +ATOM 11 C UNL A 1 22.721 16.714 -7.740 1.00 0.00 C +ATOM 12 C UNL A 1 22.837 17.926 -6.795 1.00 0.00 C +ATOM 13 N UNL A 1 23.776 16.362 -8.535 1.00 0.00 N +ATOM 14 O UNL A 1 24.091 18.336 -6.267 1.00 0.00 O +ATOM 15 C UNL A 1 25.161 16.674 -8.278 1.00 0.00 C +ATOM 16 C UNL A 1 24.859 18.921 -7.233 1.00 0.00 C +ATOM 17 C UNL A 1 25.430 18.149 -8.245 1.00 0.00 C +ATOM 18 C UNL A 1 25.106 20.282 -7.146 1.00 0.00 C +ATOM 19 C UNL A 1 26.254 18.772 -9.202 1.00 0.00 C +ATOM 20 C UNL A 1 25.902 20.890 -8.117 1.00 0.00 C +ATOM 21 O UNL A 1 21.665 16.099 -7.865 1.00 0.00 O +ATOM 22 H UNL A 1 23.579 15.527 -9.078 1.00 0.00 H +ATOM 23 O UNL A 1 31.415 20.216 -11.082 1.00 0.00 O +ATOM 24 H UNL A 1 32.065 19.722 -11.609 1.00 0.00 H +CONECT 1 2 2 6 10 +CONECT 2 3 1 1 +CONECT 3 4 4 2 +CONECT 4 9 3 3 5 +CONECT 5 4 7 6 6 +CONECT 6 5 5 1 +CONECT 7 8 5 23 +CONECT 8 9 7 +CONECT 9 8 4 +CONECT 10 1 19 19 20 +CONECT 11 13 21 21 12 +CONECT 12 11 14 +CONECT 13 22 15 11 +CONECT 14 16 12 +CONECT 15 13 17 +CONECT 16 17 17 18 14 +CONECT 17 19 15 16 16 +CONECT 18 20 20 16 +CONECT 19 10 10 17 +CONECT 20 10 18 18 +CONECT 21 11 11 +CONECT 22 13 +CONECT 23 7 24 +CONECT 24 23 +MASTER 0 0 0 0 0 0 0 0 24 0 24 0 +END diff --git a/s2507894_cmpx.pdb b/s2507894_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..6cdfdb644ef033d1c637eb98aca73a6712645c12 --- /dev/null +++ b/s2507894_cmpx.pdb @@ -0,0 +1,1612 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -9.0 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(C3(c4ccccc4)COC3)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 19 9 20 10 21 11 22 12 9 14 +REMARK SMILES IDX 16 15 18 16 17 17 10 18 11 19 15 20 12 21 14 22 13 23 +REMARK H PARENT 22 13 +COMPND /tmp/tmp6mnkrtyo/66310572_s2507894_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.698 16.087 -7.686 1.00 0.00 O +ATOM 2 C UNL A 1 22.740 16.749 -7.692 1.00 0.00 C +ATOM 3 C UNL A 1 22.943 17.932 -6.726 1.00 0.00 C +ATOM 4 O UNL A 1 24.242 18.344 -6.323 1.00 0.00 O +ATOM 5 C UNL A 1 24.881 19.000 -7.337 1.00 0.00 C +ATOM 6 C UNL A 1 25.172 20.348 -7.187 1.00 0.00 C +ATOM 7 C UNL A 1 25.840 21.029 -8.213 1.00 0.00 C +ATOM 8 C UNL A 1 26.245 20.383 -9.401 1.00 0.00 C +ATOM 9 C UNL A 1 25.943 19.007 -9.497 1.00 0.00 C +ATOM 10 C UNL A 1 25.292 18.305 -8.472 1.00 0.00 C +ATOM 11 C UNL A 1 25.071 16.825 -8.547 1.00 0.00 C +ATOM 12 N UNL A 1 23.677 16.477 -8.647 1.00 0.00 N +ATOM 13 H UNL A 1 23.438 15.661 -9.195 1.00 0.00 H +ATOM 14 C UNL A 1 27.035 21.163 -10.579 1.00 0.00 C +ATOM 15 C UNL A 1 26.798 22.711 -10.672 1.00 0.00 C +ATOM 16 C UNL A 1 26.335 21.204 -11.982 1.00 0.00 C +ATOM 17 O UNL A 1 26.526 22.634 -12.090 1.00 0.00 O +ATOM 18 C UNL A 1 28.584 20.677 -10.564 1.00 0.00 C +ATOM 19 C UNL A 1 29.368 20.629 -11.738 1.00 0.00 C +ATOM 20 C UNL A 1 29.240 20.297 -9.373 1.00 0.00 C +ATOM 21 C UNL A 1 30.722 20.283 -11.717 1.00 0.00 C +ATOM 22 C UNL A 1 30.595 19.953 -9.342 1.00 0.00 C +ATOM 23 C UNL A 1 31.339 19.957 -10.516 1.00 0.00 C +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 16 15 18 8 +CONECT 15 17 14 +CONECT 16 17 14 +CONECT 17 16 15 +CONECT 18 19 19 14 20 +CONECT 19 21 18 18 +CONECT 20 18 22 22 +CONECT 21 19 23 23 +CONECT 22 23 20 20 +CONECT 23 21 21 22 +MASTER 0 0 0 0 0 0 0 0 23 0 23 0 +END diff --git a/s2514636_cmpx.pdb b/s2514636_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..e22c8fd2282cf5b3460b53ea5e91914f91c4e4c1 --- /dev/null +++ b/s2514636_cmpx.pdb @@ -0,0 +1,1610 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.4 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES Oc1cc(-c2ccc3c(c2)CNCCO3)c(O)[nH]1 +REMARK SMILES IDX 2 1 3 2 4 3 16 4 18 5 1 7 5 9 6 10 10 11 7 12 9 13 8 14 +REMARK SMILES IDX 11 15 15 16 12 17 14 18 13 19 17 21 +REMARK H PARENT 18 6 1 8 12 20 17 22 +COMPND /tmp/tmpr6j7zpf6/66314313_s2514636_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 C UNL A 1 22.477 16.741 -7.556 1.00 0.00 C +ATOM 2 C UNL A 1 22.956 17.848 -6.898 1.00 0.00 C +ATOM 3 C UNL A 1 24.326 18.029 -7.270 1.00 0.00 C +ATOM 4 C UNL A 1 24.632 16.987 -8.134 1.00 0.00 C +ATOM 5 N UNL A 1 23.492 16.250 -8.323 1.00 0.00 N +ATOM 6 H UNL A 1 23.431 15.432 -8.912 1.00 0.00 H +ATOM 7 O UNL A 1 21.296 16.141 -7.555 1.00 0.00 O +ATOM 8 H UNL A 1 21.361 15.377 -8.154 1.00 0.00 H +ATOM 9 C UNL A 1 25.246 19.071 -6.817 1.00 0.00 C +ATOM 10 C UNL A 1 26.295 18.797 -5.930 1.00 0.00 C +ATOM 11 C UNL A 1 25.107 20.381 -7.306 1.00 0.00 C +ATOM 12 C UNL A 1 27.153 19.816 -5.509 1.00 0.00 C +ATOM 13 C UNL A 1 25.988 21.409 -6.926 1.00 0.00 C +ATOM 14 C UNL A 1 27.007 21.103 -6.020 1.00 0.00 C +ATOM 15 C UNL A 1 25.811 22.801 -7.471 1.00 0.00 C +ATOM 16 O UNL A 1 27.886 22.057 -5.579 1.00 0.00 O +ATOM 17 N UNL A 1 26.946 23.246 -8.289 1.00 0.00 N +ATOM 18 C UNL A 1 28.724 22.499 -6.655 1.00 0.00 C +ATOM 19 C UNL A 1 28.088 23.645 -7.452 1.00 0.00 C +ATOM 20 H UNL A 1 26.648 24.058 -8.829 1.00 0.00 H +ATOM 21 O UNL A 1 25.746 16.591 -8.739 1.00 0.00 O +ATOM 22 H UNL A 1 25.570 16.584 -9.695 1.00 0.00 H +CONECT 1 5 7 2 2 +CONECT 2 1 1 3 +CONECT 3 4 4 2 9 +CONECT 4 21 5 3 3 +CONECT 5 6 4 1 +CONECT 6 5 +CONECT 7 8 1 +CONECT 8 7 +CONECT 9 11 11 3 10 +CONECT 10 9 12 12 +CONECT 11 13 9 9 +CONECT 12 14 10 10 +CONECT 13 15 11 14 14 +CONECT 14 13 13 16 12 +CONECT 15 17 13 +CONECT 16 18 14 +CONECT 17 20 15 19 +CONECT 18 19 16 +CONECT 19 17 18 +CONECT 20 17 +CONECT 21 22 4 +CONECT 22 21 +MASTER 0 0 0 0 0 0 0 0 22 0 22 0 +END diff --git a/s2522496_cmpx.pdb b/s2522496_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..8f99d5390ede3a0321b4792d156ee569a985a0d3 --- /dev/null +++ b/s2522496_cmpx.pdb @@ -0,0 +1,1608 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.6 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(C3=C(F)CNCC3)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 16 9 17 10 18 11 19 12 9 14 +REMARK SMILES IDX 10 15 15 16 12 17 14 18 13 19 11 20 +REMARK H PARENT 19 13 13 21 +COMPND /tmp/tmp6mnkrtyo/65067462_s2522496_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.485 16.144 -7.601 1.00 0.00 O +ATOM 2 C UNL A 1 22.572 16.722 -7.610 1.00 0.00 C +ATOM 3 C UNL A 1 22.816 17.980 -6.754 1.00 0.00 C +ATOM 4 O UNL A 1 24.123 18.353 -6.343 1.00 0.00 O +ATOM 5 C UNL A 1 24.832 18.865 -7.396 1.00 0.00 C +ATOM 6 C UNL A 1 25.179 20.212 -7.374 1.00 0.00 C +ATOM 7 C UNL A 1 25.919 20.753 -8.427 1.00 0.00 C +ATOM 8 C UNL A 1 26.320 19.938 -9.497 1.00 0.00 C +ATOM 9 C UNL A 1 25.992 18.576 -9.487 1.00 0.00 C +ATOM 10 C UNL A 1 25.254 18.026 -8.429 1.00 0.00 C +ATOM 11 C UNL A 1 24.947 16.563 -8.358 1.00 0.00 C +ATOM 12 N UNL A 1 23.536 16.284 -8.474 1.00 0.00 N +ATOM 13 H UNL A 1 23.268 15.425 -8.941 1.00 0.00 H +ATOM 14 C UNL A 1 27.091 20.506 -10.610 1.00 0.00 C +ATOM 15 C UNL A 1 28.434 20.479 -10.621 1.00 0.00 C +ATOM 16 C UNL A 1 26.311 21.125 -11.738 1.00 0.00 C +ATOM 17 C UNL A 1 29.240 21.043 -11.756 1.00 0.00 C +ATOM 18 C UNL A 1 27.189 21.865 -12.766 1.00 0.00 C +ATOM 19 N UNL A 1 28.499 21.253 -13.008 1.00 0.00 N +ATOM 20 F UNL A 1 29.097 19.902 -9.593 1.00 0.00 F +ATOM 21 H UNL A 1 28.376 20.354 -13.468 1.00 0.00 H +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 16 15 15 8 +CONECT 15 17 14 14 20 +CONECT 16 18 14 +CONECT 17 19 15 +CONECT 18 19 16 +CONECT 19 21 18 17 +CONECT 20 15 +CONECT 21 19 +MASTER 0 0 0 0 0 0 0 0 21 0 21 0 +END diff --git a/s2542122_cmpx.pdb b/s2542122_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..b42ea7b2c88beacf7fc5263f62a4c1d2913fe87e --- /dev/null +++ b/s2542122_cmpx.pdb @@ -0,0 +1,1612 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -9.0 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(-c3cnc4c(c3)CCCO4)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 19 9 20 10 21 11 22 12 9 14 +REMARK SMILES IDX 10 15 14 16 11 17 13 18 12 19 15 20 18 21 16 22 17 23 +REMARK H PARENT 22 13 +COMPND /tmp/tmpc0efixpe/58589802_s2542122_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.458 16.144 -7.621 1.00 0.00 O +ATOM 2 C UNL A 1 22.557 16.711 -7.615 1.00 0.00 C +ATOM 3 C UNL A 1 22.808 17.958 -6.751 1.00 0.00 C +ATOM 4 O UNL A 1 24.118 18.286 -6.303 1.00 0.00 O +ATOM 5 C UNL A 1 24.858 18.803 -7.331 1.00 0.00 C +ATOM 6 C UNL A 1 25.230 20.141 -7.282 1.00 0.00 C +ATOM 7 C UNL A 1 25.951 20.695 -8.339 1.00 0.00 C +ATOM 8 C UNL A 1 26.315 19.926 -9.467 1.00 0.00 C +ATOM 9 C UNL A 1 25.977 18.560 -9.450 1.00 0.00 C +ATOM 10 C UNL A 1 25.263 17.986 -8.382 1.00 0.00 C +ATOM 11 C UNL A 1 24.933 16.525 -8.341 1.00 0.00 C +ATOM 12 N UNL A 1 23.520 16.266 -8.474 1.00 0.00 N +ATOM 13 H UNL A 1 23.246 15.418 -8.953 1.00 0.00 H +ATOM 14 C UNL A 1 26.946 20.549 -10.649 1.00 0.00 C +ATOM 15 C UNL A 1 28.316 20.506 -10.900 1.00 0.00 C +ATOM 16 C UNL A 1 26.177 21.172 -11.641 1.00 0.00 C +ATOM 17 N UNL A 1 28.915 20.952 -12.034 1.00 0.00 N +ATOM 18 C UNL A 1 26.759 21.665 -12.817 1.00 0.00 C +ATOM 19 C UNL A 1 28.126 21.509 -12.976 1.00 0.00 C +ATOM 20 C UNL A 1 25.913 22.347 -13.838 1.00 0.00 C +ATOM 21 O UNL A 1 28.777 21.819 -14.135 1.00 0.00 O +ATOM 22 C UNL A 1 26.637 22.549 -15.156 1.00 0.00 C +ATOM 23 C UNL A 1 28.131 22.768 -14.976 1.00 0.00 C +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 16 15 15 8 +CONECT 15 17 14 14 +CONECT 16 18 18 14 +CONECT 17 19 19 15 +CONECT 18 20 19 16 16 +CONECT 19 21 18 17 17 +CONECT 20 22 18 +CONECT 21 23 19 +CONECT 22 23 20 +CONECT 23 22 21 +MASTER 0 0 0 0 0 0 0 0 23 0 23 0 +END diff --git a/s2554318_cmpx.pdb b/s2554318_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..3dfea928f3293cb732b2cd1ee9cd19461fa0f9b5 --- /dev/null +++ b/s2554318_cmpx.pdb @@ -0,0 +1,1610 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.5 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(Cc3nc(=O)cc[nH]3)cc2CN1 +REMARK SMILES IDX 9 1 8 2 2 3 3 4 20 5 4 6 19 7 5 8 18 9 6 10 17 11 7 12 1 13 +REMARK SMILES IDX 10 15 11 16 16 17 12 18 15 19 14 20 13 22 +REMARK H PARENT 20 14 16 21 +COMPND /tmp/tmpc473wftk/65084014_s2554318_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 C UNL A 1 27.122 20.930 -10.577 1.00 0.00 C +ATOM 2 C UNL A 1 26.318 20.272 -9.479 1.00 0.00 C +ATOM 3 C UNL A 1 22.736 16.762 -7.683 1.00 0.00 C +ATOM 4 C UNL A 1 22.926 18.009 -6.803 1.00 0.00 C +ATOM 5 N UNL A 1 23.662 16.461 -8.640 1.00 0.00 N +ATOM 6 O UNL A 1 24.223 18.423 -6.398 1.00 0.00 O +ATOM 7 C UNL A 1 25.065 16.785 -8.547 1.00 0.00 C +ATOM 8 C UNL A 1 24.888 19.020 -7.434 1.00 0.00 C +ATOM 9 C UNL A 1 25.325 18.260 -8.520 1.00 0.00 C +ATOM 10 C UNL A 1 25.177 20.378 -7.339 1.00 0.00 C +ATOM 11 C UNL A 1 26.043 18.896 -9.542 1.00 0.00 C +ATOM 12 C UNL A 1 25.879 21.007 -8.369 1.00 0.00 C +ATOM 13 O UNL A 1 21.715 16.075 -7.613 1.00 0.00 O +ATOM 14 H UNL A 1 23.423 15.614 -9.140 1.00 0.00 H +ATOM 15 C UNL A 1 28.597 20.552 -10.516 1.00 0.00 C +ATOM 16 N UNL A 1 29.100 20.222 -9.364 1.00 0.00 N +ATOM 17 N UNL A 1 29.330 20.577 -11.681 1.00 0.00 N +ATOM 18 C UNL A 1 30.434 19.872 -9.290 1.00 0.00 C +ATOM 19 C UNL A 1 30.675 20.366 -11.647 1.00 0.00 C +ATOM 20 C UNL A 1 31.279 20.031 -10.505 1.00 0.00 C +ATOM 21 H UNL A 1 28.923 20.942 -12.535 1.00 0.00 H +ATOM 22 O UNL A 1 30.964 19.451 -8.265 1.00 0.00 O +CONECT 1 15 2 +CONECT 2 1 11 11 12 +CONECT 3 5 13 13 4 +CONECT 4 3 6 +CONECT 5 14 7 3 +CONECT 6 8 4 +CONECT 7 5 9 +CONECT 8 9 9 10 6 +CONECT 9 11 7 8 8 +CONECT 10 12 12 8 +CONECT 11 2 2 9 +CONECT 12 2 10 10 +CONECT 13 3 3 +CONECT 14 5 +CONECT 15 17 1 16 16 +CONECT 16 15 15 18 +CONECT 17 21 19 15 +CONECT 18 20 16 22 22 +CONECT 19 17 20 20 +CONECT 20 19 19 18 +CONECT 21 17 +CONECT 22 18 18 +MASTER 0 0 0 0 0 0 0 0 22 0 22 0 +END diff --git a/s2577246_cmpx.pdb b/s2577246_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..ecd9c042abe2f043c5a9fe522aefa84ab3014454 --- /dev/null +++ b/s2577246_cmpx.pdb @@ -0,0 +1,1606 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.4 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc([C@@H]3C[C@@H]4C=C[C@H]3O4)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 16 9 17 10 18 11 19 12 9 14 +REMARK SMILES IDX 10 15 14 16 11 17 13 18 15 19 12 20 +REMARK H PARENT 19 13 +COMPND /tmp/tmpua8p4hk7/65099795_s2577246_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.867 16.083 -7.791 1.00 0.00 O +ATOM 2 C UNL A 1 22.894 16.767 -7.743 1.00 0.00 C +ATOM 3 C UNL A 1 22.998 17.979 -6.802 1.00 0.00 C +ATOM 4 O UNL A 1 24.250 18.481 -6.364 1.00 0.00 O +ATOM 5 C UNL A 1 24.929 19.099 -7.376 1.00 0.00 C +ATOM 6 C UNL A 1 25.177 20.462 -7.269 1.00 0.00 C +ATOM 7 C UNL A 1 25.996 21.091 -8.209 1.00 0.00 C +ATOM 8 C UNL A 1 26.594 20.363 -9.254 1.00 0.00 C +ATOM 9 C UNL A 1 26.308 18.992 -9.353 1.00 0.00 C +ATOM 10 C UNL A 1 25.484 18.350 -8.413 1.00 0.00 C +ATOM 11 C UNL A 1 25.284 16.864 -8.439 1.00 0.00 C +ATOM 12 N UNL A 1 23.905 16.481 -8.612 1.00 0.00 N +ATOM 13 H UNL A 1 23.722 15.640 -9.144 1.00 0.00 H +ATOM 14 C UNL A 1 27.634 21.047 -10.110 1.00 0.00 C +ATOM 15 C UNL A 1 28.234 20.212 -11.279 1.00 0.00 C +ATOM 16 C UNL A 1 28.917 21.645 -9.485 1.00 0.00 C +ATOM 17 C UNL A 1 29.718 20.614 -11.221 1.00 0.00 C +ATOM 18 C UNL A 1 29.868 20.607 -8.959 1.00 0.00 C +ATOM 19 O UNL A 1 29.616 21.974 -10.723 1.00 0.00 O +ATOM 20 C UNL A 1 30.364 19.975 -10.031 1.00 0.00 C +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 15 16 8 +CONECT 15 17 14 +CONECT 16 19 14 18 +CONECT 17 15 19 20 +CONECT 18 20 16 +CONECT 19 17 16 +CONECT 20 17 18 +MASTER 0 0 0 0 0 0 0 0 20 0 20 0 +END diff --git a/s2579511_cmpx.pdb b/s2579511_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..d52d89736cb07792b35f6800e0c5d3d97c0e5229 --- /dev/null +++ b/s2579511_cmpx.pdb @@ -0,0 +1,1610 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -9.3 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(-c3ccc4c(c3)CCC4)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 18 9 19 10 20 11 21 12 9 14 +REMARK SMILES IDX 10 15 14 16 11 17 13 18 12 19 15 20 17 21 16 22 +REMARK H PARENT 21 13 +COMPND /tmp/tmp3_mux6fw/66347982_s2579511_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.660 16.125 -7.660 1.00 0.00 O +ATOM 2 C UNL A 1 22.737 16.720 -7.672 1.00 0.00 C +ATOM 3 C UNL A 1 22.961 17.985 -6.821 1.00 0.00 C +ATOM 4 O UNL A 1 24.271 18.346 -6.405 1.00 0.00 O +ATOM 5 C UNL A 1 24.945 18.906 -7.456 1.00 0.00 C +ATOM 6 C UNL A 1 25.245 20.257 -7.413 1.00 0.00 C +ATOM 7 C UNL A 1 25.892 20.840 -8.500 1.00 0.00 C +ATOM 8 C UNL A 1 26.240 20.093 -9.646 1.00 0.00 C +ATOM 9 C UNL A 1 25.954 18.717 -9.635 1.00 0.00 C +ATOM 10 C UNL A 1 25.333 18.112 -8.534 1.00 0.00 C +ATOM 11 C UNL A 1 25.099 16.634 -8.467 1.00 0.00 C +ATOM 12 N UNL A 1 23.702 16.300 -8.543 1.00 0.00 N +ATOM 13 H UNL A 1 23.450 15.434 -9.015 1.00 0.00 H +ATOM 14 C UNL A 1 26.985 20.739 -10.751 1.00 0.00 C +ATOM 15 C UNL A 1 28.342 20.405 -11.000 1.00 0.00 C +ATOM 16 C UNL A 1 26.330 21.583 -11.666 1.00 0.00 C +ATOM 17 C UNL A 1 28.972 20.726 -12.204 1.00 0.00 C +ATOM 18 C UNL A 1 26.961 21.901 -12.855 1.00 0.00 C +ATOM 19 C UNL A 1 28.234 21.404 -13.152 1.00 0.00 C +ATOM 20 C UNL A 1 26.409 22.643 -14.031 1.00 0.00 C +ATOM 21 C UNL A 1 28.555 21.624 -14.598 1.00 0.00 C +ATOM 22 C UNL A 1 27.139 21.887 -15.146 1.00 0.00 C +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 16 16 15 8 +CONECT 15 17 17 14 +CONECT 16 18 14 14 +CONECT 17 19 15 15 +CONECT 18 20 19 19 16 +CONECT 19 21 18 18 17 +CONECT 20 22 18 +CONECT 21 22 19 +CONECT 22 21 20 +MASTER 0 0 0 0 0 0 0 0 22 0 22 0 +END diff --git a/s272686_cmpx.pdb b/s272686_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..9503804eb759e0d9b4c7af99e6c02e71c8f1d70b --- /dev/null +++ b/s272686_cmpx.pdb @@ -0,0 +1,1610 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -9.0 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(-c3ncnc4c3CCC4)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 18 9 19 10 20 11 21 12 9 14 +REMARK SMILES IDX 10 15 14 16 11 17 13 18 15 19 12 20 17 21 16 22 +REMARK H PARENT 21 13 +COMPND /tmp/tmpvzjtubue/66363155_s272686_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.603 16.140 -7.668 1.00 0.00 O +ATOM 2 C UNL A 1 22.677 16.749 -7.663 1.00 0.00 C +ATOM 3 C UNL A 1 22.899 17.962 -6.742 1.00 0.00 C +ATOM 4 O UNL A 1 24.196 18.388 -6.356 1.00 0.00 O +ATOM 5 C UNL A 1 24.861 18.958 -7.406 1.00 0.00 C +ATOM 6 C UNL A 1 25.174 20.312 -7.340 1.00 0.00 C +ATOM 7 C UNL A 1 25.941 20.897 -8.352 1.00 0.00 C +ATOM 8 C UNL A 1 26.415 20.128 -9.426 1.00 0.00 C +ATOM 9 C UNL A 1 26.057 18.767 -9.480 1.00 0.00 C +ATOM 10 C UNL A 1 25.302 18.166 -8.466 1.00 0.00 C +ATOM 11 C UNL A 1 25.038 16.694 -8.462 1.00 0.00 C +ATOM 12 N UNL A 1 23.635 16.377 -8.559 1.00 0.00 N +ATOM 13 H UNL A 1 23.380 15.550 -9.080 1.00 0.00 H +ATOM 14 C UNL A 1 27.345 20.659 -10.433 1.00 0.00 C +ATOM 15 N UNL A 1 26.788 21.060 -11.600 1.00 0.00 N +ATOM 16 C UNL A 1 28.710 20.596 -10.295 1.00 0.00 C +ATOM 17 C UNL A 1 27.631 21.390 -12.601 1.00 0.00 C +ATOM 18 C UNL A 1 29.469 20.917 -11.403 1.00 0.00 C +ATOM 19 C UNL A 1 29.575 20.187 -9.152 1.00 0.00 C +ATOM 20 N UNL A 1 28.971 21.328 -12.573 1.00 0.00 N +ATOM 21 C UNL A 1 30.931 20.692 -11.140 1.00 0.00 C +ATOM 22 C UNL A 1 30.868 19.807 -9.887 1.00 0.00 C +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 15 15 16 8 +CONECT 15 17 14 14 +CONECT 16 18 18 14 19 +CONECT 17 20 20 15 +CONECT 18 20 21 16 16 +CONECT 19 16 22 +CONECT 20 17 17 18 +CONECT 21 18 22 +CONECT 22 21 19 +MASTER 0 0 0 0 0 0 0 0 22 0 22 0 +END diff --git a/s29023_cmpx.pdb b/s29023_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..ce07d723f80baf67dcd59533df5d1551fb487372 --- /dev/null +++ b/s29023_cmpx.pdb @@ -0,0 +1,1608 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.6 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(C(=O)C3CCOCC3)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 17 9 18 10 19 11 20 12 9 14 +REMARK SMILES IDX 10 15 11 16 12 17 16 18 13 19 15 20 14 21 +REMARK H PARENT 20 13 +COMPND /tmp/tmpd49dm3ro/66373234_s29023_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.569 16.050 -7.556 1.00 0.00 O +ATOM 2 C UNL A 1 22.596 16.726 -7.643 1.00 0.00 C +ATOM 3 C UNL A 1 22.801 17.999 -6.802 1.00 0.00 C +ATOM 4 O UNL A 1 24.097 18.388 -6.371 1.00 0.00 O +ATOM 5 C UNL A 1 24.818 18.926 -7.403 1.00 0.00 C +ATOM 6 C UNL A 1 25.176 20.272 -7.333 1.00 0.00 C +ATOM 7 C UNL A 1 25.943 20.842 -8.353 1.00 0.00 C +ATOM 8 C UNL A 1 26.363 20.057 -9.430 1.00 0.00 C +ATOM 9 C UNL A 1 26.025 18.694 -9.470 1.00 0.00 C +ATOM 10 C UNL A 1 25.251 18.117 -8.454 1.00 0.00 C +ATOM 11 C UNL A 1 24.929 16.656 -8.458 1.00 0.00 C +ATOM 12 N UNL A 1 23.518 16.398 -8.599 1.00 0.00 N +ATOM 13 H UNL A 1 23.260 15.550 -9.089 1.00 0.00 H +ATOM 14 C UNL A 1 27.208 20.590 -10.538 1.00 0.00 C +ATOM 15 O UNL A 1 26.660 20.829 -11.612 1.00 0.00 O +ATOM 16 C UNL A 1 28.704 20.841 -10.305 1.00 0.00 C +ATOM 17 C UNL A 1 29.512 20.454 -11.550 1.00 0.00 C +ATOM 18 C UNL A 1 29.181 20.054 -9.073 1.00 0.00 C +ATOM 19 C UNL A 1 31.007 20.397 -11.266 1.00 0.00 C +ATOM 20 C UNL A 1 30.697 20.040 -8.957 1.00 0.00 C +ATOM 21 O UNL A 1 31.283 19.548 -10.158 1.00 0.00 O +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 15 15 16 8 +CONECT 15 14 14 +CONECT 16 17 14 18 +CONECT 17 19 16 +CONECT 18 16 20 +CONECT 19 17 21 +CONECT 20 21 18 +CONECT 21 19 20 +MASTER 0 0 0 0 0 0 0 0 21 0 21 0 +END diff --git a/s290535_cmpx.pdb b/s290535_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..514e68c0e579596a2b35f36e3cc595908eccf48f --- /dev/null +++ b/s290535_cmpx.pdb @@ -0,0 +1,1612 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.7 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc([C@@H]3CNc4ccccc43)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 18 9 19 10 20 11 21 12 9 14 +REMARK SMILES IDX 10 15 17 16 11 17 12 18 16 19 13 20 15 21 14 22 +REMARK H PARENT 21 13 11 23 +COMPND /tmp/tmpi4y00g6x/65152287_s290535_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.437 15.984 -7.524 1.00 0.00 O +ATOM 2 C UNL A 1 22.456 16.675 -7.604 1.00 0.00 C +ATOM 3 C UNL A 1 22.683 17.872 -6.672 1.00 0.00 C +ATOM 4 O UNL A 1 23.992 18.278 -6.317 1.00 0.00 O +ATOM 5 C UNL A 1 24.623 18.914 -7.348 1.00 0.00 C +ATOM 6 C UNL A 1 24.962 20.253 -7.181 1.00 0.00 C +ATOM 7 C UNL A 1 25.760 20.893 -8.132 1.00 0.00 C +ATOM 8 C UNL A 1 26.251 20.191 -9.245 1.00 0.00 C +ATOM 9 C UNL A 1 25.848 18.854 -9.419 1.00 0.00 C +ATOM 10 C UNL A 1 25.043 18.201 -8.470 1.00 0.00 C +ATOM 11 C UNL A 1 24.745 16.736 -8.589 1.00 0.00 C +ATOM 12 N UNL A 1 23.335 16.423 -8.617 1.00 0.00 N +ATOM 13 H UNL A 1 23.068 15.594 -9.134 1.00 0.00 H +ATOM 14 C UNL A 1 27.219 20.894 -10.187 1.00 0.00 C +ATOM 15 C UNL A 1 28.054 21.994 -9.484 1.00 0.00 C +ATOM 16 C UNL A 1 26.587 21.718 -11.269 1.00 0.00 C +ATOM 17 N UNL A 1 27.433 23.317 -9.750 1.00 0.00 N +ATOM 18 C UNL A 1 26.733 23.072 -10.963 1.00 0.00 C +ATOM 19 C UNL A 1 25.886 21.299 -12.389 1.00 0.00 C +ATOM 20 C UNL A 1 26.120 24.040 -11.739 1.00 0.00 C +ATOM 21 C UNL A 1 25.299 22.275 -13.200 1.00 0.00 C +ATOM 22 C UNL A 1 25.410 23.636 -12.871 1.00 0.00 C +ATOM 23 H UNL A 1 26.740 23.537 -9.032 1.00 0.00 H +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 16 15 8 +CONECT 15 14 17 +CONECT 16 19 19 18 14 +CONECT 17 18 15 23 +CONECT 18 20 20 16 17 +CONECT 19 21 16 16 +CONECT 20 22 18 18 +CONECT 21 22 22 19 +CONECT 22 21 21 20 +CONECT 23 17 +MASTER 0 0 0 0 0 0 0 0 23 0 23 0 +END diff --git a/s301550_cmpx.pdb b/s301550_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..70f6b117f0bf52a54f8cd49463fbdfe5cb269b48 --- /dev/null +++ b/s301550_cmpx.pdb @@ -0,0 +1,1612 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -9.0 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(-c3ccc4c(c3)OCCO4)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 19 9 20 10 21 11 22 12 9 14 +REMARK SMILES IDX 10 15 14 16 11 17 13 18 12 19 15 20 18 21 16 22 17 23 +REMARK H PARENT 22 13 +COMPND /tmp/tmpua8p4hk7/65164628_s301550_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.541 16.149 -7.628 1.00 0.00 O +ATOM 2 C UNL A 1 22.634 16.724 -7.641 1.00 0.00 C +ATOM 3 C UNL A 1 22.863 18.020 -6.843 1.00 0.00 C +ATOM 4 O UNL A 1 24.171 18.344 -6.384 1.00 0.00 O +ATOM 5 C UNL A 1 24.904 18.846 -7.424 1.00 0.00 C +ATOM 6 C UNL A 1 25.224 20.194 -7.423 1.00 0.00 C +ATOM 7 C UNL A 1 25.893 20.731 -8.520 1.00 0.00 C +ATOM 8 C UNL A 1 26.250 19.933 -9.626 1.00 0.00 C +ATOM 9 C UNL A 1 25.975 18.556 -9.566 1.00 0.00 C +ATOM 10 C UNL A 1 25.312 18.001 -8.459 1.00 0.00 C +ATOM 11 C UNL A 1 25.021 16.536 -8.350 1.00 0.00 C +ATOM 12 N UNL A 1 23.612 16.240 -8.462 1.00 0.00 N +ATOM 13 H UNL A 1 23.353 15.364 -8.896 1.00 0.00 H +ATOM 14 C UNL A 1 26.873 20.559 -10.808 1.00 0.00 C +ATOM 15 C UNL A 1 26.170 21.433 -11.653 1.00 0.00 C +ATOM 16 C UNL A 1 28.199 20.239 -11.149 1.00 0.00 C +ATOM 17 C UNL A 1 26.759 21.935 -12.821 1.00 0.00 C +ATOM 18 C UNL A 1 28.769 20.704 -12.330 1.00 0.00 C +ATOM 19 C UNL A 1 28.054 21.559 -13.168 1.00 0.00 C +ATOM 20 O UNL A 1 30.030 20.249 -12.622 1.00 0.00 O +ATOM 21 O UNL A 1 28.542 22.030 -14.359 1.00 0.00 O +ATOM 22 C UNL A 1 30.261 20.320 -14.032 1.00 0.00 C +ATOM 23 C UNL A 1 29.927 21.711 -14.548 1.00 0.00 C +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 15 15 16 8 +CONECT 15 17 14 14 +CONECT 16 18 18 14 +CONECT 17 19 19 15 +CONECT 18 19 20 16 16 +CONECT 19 21 17 17 18 +CONECT 20 22 18 +CONECT 21 23 19 +CONECT 22 23 20 +CONECT 23 21 22 +MASTER 0 0 0 0 0 0 0 0 23 0 23 0 +END diff --git a/s301926_cmpx.pdb b/s301926_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..1bca5bf42c16664f53dbc49fe6c0587db98c890a --- /dev/null +++ b/s301926_cmpx.pdb @@ -0,0 +1,1612 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -9.3 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(-c3ccc4c(c3)COCO4)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 19 9 20 10 21 11 22 12 9 14 +REMARK SMILES IDX 10 15 14 16 11 17 13 18 12 19 15 20 18 21 16 22 17 23 +REMARK H PARENT 22 13 +COMPND /tmp/tmp04cep56x/66379838_s301926_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.656 16.123 -7.681 1.00 0.00 O +ATOM 2 C UNL A 1 22.731 16.725 -7.669 1.00 0.00 C +ATOM 3 C UNL A 1 22.946 17.966 -6.781 1.00 0.00 C +ATOM 4 O UNL A 1 24.240 18.382 -6.362 1.00 0.00 O +ATOM 5 C UNL A 1 24.929 18.932 -7.407 1.00 0.00 C +ATOM 6 C UNL A 1 25.233 20.292 -7.381 1.00 0.00 C +ATOM 7 C UNL A 1 25.916 20.873 -8.456 1.00 0.00 C +ATOM 8 C UNL A 1 26.307 20.101 -9.561 1.00 0.00 C +ATOM 9 C UNL A 1 26.016 18.720 -9.534 1.00 0.00 C +ATOM 10 C UNL A 1 25.354 18.124 -8.457 1.00 0.00 C +ATOM 11 C UNL A 1 25.105 16.650 -8.415 1.00 0.00 C +ATOM 12 N UNL A 1 23.709 16.323 -8.537 1.00 0.00 N +ATOM 13 H UNL A 1 23.462 15.481 -9.040 1.00 0.00 H +ATOM 14 C UNL A 1 26.947 20.680 -10.759 1.00 0.00 C +ATOM 15 C UNL A 1 26.209 21.411 -11.702 1.00 0.00 C +ATOM 16 C UNL A 1 28.293 20.395 -11.055 1.00 0.00 C +ATOM 17 C UNL A 1 26.767 21.759 -12.937 1.00 0.00 C +ATOM 18 C UNL A 1 28.841 20.705 -12.303 1.00 0.00 C +ATOM 19 C UNL A 1 28.064 21.363 -13.249 1.00 0.00 C +ATOM 20 C UNL A 1 30.229 20.311 -12.678 1.00 0.00 C +ATOM 21 O UNL A 1 28.502 21.600 -14.521 1.00 0.00 O +ATOM 22 O UNL A 1 30.200 19.918 -14.042 1.00 0.00 O +ATOM 23 C UNL A 1 29.766 21.009 -14.851 1.00 0.00 C +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 15 15 16 8 +CONECT 15 17 14 14 +CONECT 16 18 18 14 +CONECT 17 19 19 15 +CONECT 18 19 20 16 16 +CONECT 19 21 17 17 18 +CONECT 20 22 18 +CONECT 21 23 19 +CONECT 22 23 20 +CONECT 23 21 22 +MASTER 0 0 0 0 0 0 0 0 23 0 23 0 +END diff --git a/s314178_cmpx.pdb b/s314178_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..f795f4d4d8e75b9bb615b6bf9bb30aba60eddbd4 --- /dev/null +++ b/s314178_cmpx.pdb @@ -0,0 +1,1602 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.4 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc([C@@]34CC[C@@H]3C4)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 14 9 15 10 16 11 17 12 9 14 +REMARK SMILES IDX 10 15 12 16 13 17 11 18 +REMARK H PARENT 17 13 +COMPND /tmp/tmpdd0tudtn/65179077_s314178_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.614 16.018 -7.697 1.00 0.00 O +ATOM 2 C UNL A 1 22.640 16.703 -7.686 1.00 0.00 C +ATOM 3 C UNL A 1 22.770 17.937 -6.779 1.00 0.00 C +ATOM 4 O UNL A 1 24.038 18.361 -6.298 1.00 0.00 O +ATOM 5 C UNL A 1 24.758 18.975 -7.284 1.00 0.00 C +ATOM 6 C UNL A 1 25.061 20.326 -7.148 1.00 0.00 C +ATOM 7 C UNL A 1 25.848 20.965 -8.113 1.00 0.00 C +ATOM 8 C UNL A 1 26.359 20.262 -9.214 1.00 0.00 C +ATOM 9 C UNL A 1 26.042 18.894 -9.313 1.00 0.00 C +ATOM 10 C UNL A 1 25.256 18.235 -8.355 1.00 0.00 C +ATOM 11 C UNL A 1 25.019 16.760 -8.423 1.00 0.00 C +ATOM 12 N UNL A 1 23.627 16.408 -8.581 1.00 0.00 N +ATOM 13 H UNL A 1 23.427 15.556 -9.093 1.00 0.00 H +ATOM 14 C UNL A 1 27.229 20.889 -10.270 1.00 0.00 C +ATOM 15 C UNL A 1 28.640 20.409 -10.397 1.00 0.00 C +ATOM 16 C UNL A 1 27.079 20.821 -11.751 1.00 0.00 C +ATOM 17 C UNL A 1 26.621 22.046 -11.042 1.00 0.00 C +ATOM 18 C UNL A 1 28.515 20.517 -11.932 1.00 0.00 C +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 16 17 15 8 +CONECT 15 18 14 +CONECT 16 18 17 14 +CONECT 17 16 14 +CONECT 18 16 15 +MASTER 0 0 0 0 0 0 0 0 18 0 18 0 +END diff --git a/s315170_cmpx.pdb b/s315170_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..ca9dc6a2dc84e5cfaffe98d5d4c81366f5614ca3 --- /dev/null +++ b/s315170_cmpx.pdb @@ -0,0 +1,1610 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.9 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc([C@@H]3CCCN4CCC[C@@H]34)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 18 9 19 10 20 11 21 12 9 14 +REMARK SMILES IDX 10 15 17 16 11 17 13 18 16 19 12 20 14 21 15 22 +REMARK H PARENT 21 13 +COMPND /tmp/tmps_9rhvmc/58648414_s315170_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.764 16.020 -7.805 1.00 0.00 O +ATOM 2 C UNL A 1 22.778 16.730 -7.752 1.00 0.00 C +ATOM 3 C UNL A 1 22.861 17.956 -6.823 1.00 0.00 C +ATOM 4 O UNL A 1 24.098 18.375 -6.258 1.00 0.00 O +ATOM 5 C UNL A 1 24.891 18.986 -7.190 1.00 0.00 C +ATOM 6 C UNL A 1 25.193 20.332 -7.030 1.00 0.00 C +ATOM 7 C UNL A 1 25.982 20.982 -7.981 1.00 0.00 C +ATOM 8 C UNL A 1 26.466 20.288 -9.103 1.00 0.00 C +ATOM 9 C UNL A 1 26.214 18.910 -9.203 1.00 0.00 C +ATOM 10 C UNL A 1 25.436 18.249 -8.241 1.00 0.00 C +ATOM 11 C UNL A 1 25.178 16.778 -8.325 1.00 0.00 C +ATOM 12 N UNL A 1 23.798 16.477 -8.623 1.00 0.00 N +ATOM 13 H UNL A 1 23.624 15.656 -9.187 1.00 0.00 H +ATOM 14 C UNL A 1 27.107 21.020 -10.272 1.00 0.00 C +ATOM 15 C UNL A 1 26.229 21.079 -11.539 1.00 0.00 C +ATOM 16 C UNL A 1 28.441 20.344 -10.634 1.00 0.00 C +ATOM 17 C UNL A 1 26.999 21.705 -12.712 1.00 0.00 C +ATOM 18 N UNL A 1 29.136 21.049 -11.717 1.00 0.00 N +ATOM 19 C UNL A 1 29.514 20.355 -9.557 1.00 0.00 C +ATOM 20 C UNL A 1 28.357 21.026 -12.950 1.00 0.00 C +ATOM 21 C UNL A 1 30.442 20.396 -11.806 1.00 0.00 C +ATOM 22 C UNL A 1 30.793 20.085 -10.347 1.00 0.00 C +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 15 16 8 +CONECT 15 17 14 +CONECT 16 18 14 19 +CONECT 17 20 15 +CONECT 18 20 21 16 +CONECT 19 16 22 +CONECT 20 17 18 +CONECT 21 18 22 +CONECT 22 21 19 +MASTER 0 0 0 0 0 0 0 0 22 0 22 0 +END diff --git a/s32706_cmpx.pdb b/s32706_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..865de381c4dae1a52ab462babfb2fa113b3aa1e7 --- /dev/null +++ b/s32706_cmpx.pdb @@ -0,0 +1,1612 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.7 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES Cc1cc2oc(=O)[nH]c2cc1N1CCOc2ccccc2C1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 9 9 10 10 11 11 12 13 13 14 +REMARK SMILES IDX 22 15 14 16 21 17 15 18 16 19 20 20 17 21 19 22 18 23 +REMARK H PARENT 8 12 +COMPND /tmp/tmpmyv5rh0r/65193693_s32706_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 C UNL A 1 25.826 21.843 -7.041 1.00 0.00 C +ATOM 2 C UNL A 1 25.511 20.471 -7.585 1.00 0.00 C +ATOM 3 C UNL A 1 24.321 19.925 -7.014 1.00 0.00 C +ATOM 4 C UNL A 1 23.875 18.702 -7.430 1.00 0.00 C +ATOM 5 O UNL A 1 22.742 18.046 -6.991 1.00 0.00 O +ATOM 6 C UNL A 1 22.776 16.868 -7.749 1.00 0.00 C +ATOM 7 O UNL A 1 21.943 15.982 -7.678 1.00 0.00 O +ATOM 8 N UNL A 1 23.875 16.851 -8.579 1.00 0.00 N +ATOM 9 C UNL A 1 24.568 18.007 -8.376 1.00 0.00 C +ATOM 10 C UNL A 1 25.731 18.473 -8.953 1.00 0.00 C +ATOM 11 C UNL A 1 26.277 19.737 -8.576 1.00 0.00 C +ATOM 12 H UNL A 1 24.086 16.093 -9.208 1.00 0.00 H +ATOM 13 N UNL A 1 27.490 20.220 -9.225 1.00 0.00 N +ATOM 14 C UNL A 1 28.729 19.939 -8.464 1.00 0.00 C +ATOM 15 C UNL A 1 27.535 19.958 -10.700 1.00 0.00 C +ATOM 16 C UNL A 1 30.047 20.452 -9.030 1.00 0.00 C +ATOM 17 C UNL A 1 28.624 20.571 -11.559 1.00 0.00 C +ATOM 18 O UNL A 1 30.433 19.759 -10.203 1.00 0.00 O +ATOM 19 C UNL A 1 29.984 20.461 -11.281 1.00 0.00 C +ATOM 20 C UNL A 1 28.276 21.136 -12.804 1.00 0.00 C +ATOM 21 C UNL A 1 30.959 21.003 -12.125 1.00 0.00 C +ATOM 22 C UNL A 1 29.245 21.654 -13.672 1.00 0.00 C +ATOM 23 C UNL A 1 30.587 21.620 -13.314 1.00 0.00 C +CONECT 1 2 +CONECT 2 11 11 1 3 +CONECT 3 2 4 4 +CONECT 4 9 3 3 5 +CONECT 5 6 4 +CONECT 6 8 7 7 5 +CONECT 7 6 6 +CONECT 8 12 9 6 +CONECT 9 10 10 8 4 +CONECT 10 11 9 9 +CONECT 11 13 10 2 2 +CONECT 12 8 +CONECT 13 15 11 14 +CONECT 14 13 16 +CONECT 15 17 13 +CONECT 16 18 14 +CONECT 17 20 20 19 15 +CONECT 18 19 16 +CONECT 19 21 21 17 18 +CONECT 20 22 17 17 +CONECT 21 23 19 19 +CONECT 22 23 23 20 +CONECT 23 22 22 21 +MASTER 0 0 0 0 0 0 0 0 23 0 23 0 +END diff --git a/s32707_cmpx.pdb b/s32707_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..40edae3c19474cd71573e16a7a87a0818bf3bce9 --- /dev/null +++ b/s32707_cmpx.pdb @@ -0,0 +1,1614 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -9.2 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES Cc1cc2oc(=O)[nH]c2cc1-c1ccc2c(c1)CNCCO2 +REMARK SMILES IDX 12 1 13 2 14 3 15 4 16 5 17 6 18 7 19 8 20 9 21 10 22 11 +REMARK SMILES IDX 11 13 2 14 3 15 4 16 10 17 5 18 9 19 6 20 8 21 1 22 7 23 +REMARK H PARENT 19 12 8 24 +COMPND /tmp/tmpfma67dt1/66394225_s32707_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 C UNL A 1 26.951 19.887 -9.769 1.00 0.00 C +ATOM 2 C UNL A 1 26.686 20.580 -10.956 1.00 0.00 C +ATOM 3 C UNL A 1 27.727 21.138 -11.697 1.00 0.00 C +ATOM 4 C UNL A 1 29.056 21.032 -11.266 1.00 0.00 C +ATOM 5 C UNL A 1 29.377 20.229 -10.164 1.00 0.00 C +ATOM 6 C UNL A 1 28.298 19.678 -9.431 1.00 0.00 C +ATOM 7 C UNL A 1 30.749 20.001 -9.577 1.00 0.00 C +ATOM 8 N UNL A 1 31.906 19.916 -10.456 1.00 0.00 N +ATOM 9 C UNL A 1 32.107 20.993 -11.419 1.00 0.00 C +ATOM 10 C UNL A 1 31.124 22.158 -11.358 1.00 0.00 C +ATOM 11 O UNL A 1 29.914 21.784 -12.011 1.00 0.00 O +ATOM 12 H UNL A 1 31.945 19.012 -10.920 1.00 0.00 H +ATOM 13 C UNL A 1 25.856 19.409 -8.901 1.00 0.00 C +ATOM 14 C UNL A 1 25.361 20.172 -7.787 1.00 0.00 C +ATOM 15 C UNL A 1 24.273 19.692 -7.023 1.00 0.00 C +ATOM 16 C UNL A 1 23.686 18.511 -7.401 1.00 0.00 C +ATOM 17 C UNL A 1 25.240 18.179 -9.220 1.00 0.00 C +ATOM 18 O UNL A 1 22.576 17.935 -6.812 1.00 0.00 O +ATOM 19 C UNL A 1 24.163 17.779 -8.468 1.00 0.00 C +ATOM 20 C UNL A 1 22.380 16.792 -7.612 1.00 0.00 C +ATOM 21 N UNL A 1 23.346 16.695 -8.585 1.00 0.00 N +ATOM 22 C UNL A 1 25.938 21.510 -7.394 1.00 0.00 C +ATOM 23 O UNL A 1 21.464 15.998 -7.456 1.00 0.00 O +ATOM 24 H UNL A 1 23.376 15.963 -9.271 1.00 0.00 H +CONECT 1 2 2 6 13 +CONECT 2 3 1 1 +CONECT 3 4 4 2 +CONECT 4 11 3 3 5 +CONECT 5 4 7 6 6 +CONECT 6 5 5 1 +CONECT 7 8 5 +CONECT 8 9 12 7 +CONECT 9 10 8 +CONECT 10 11 9 +CONECT 11 10 4 +CONECT 12 8 +CONECT 13 1 17 17 14 +CONECT 14 13 22 15 15 +CONECT 15 14 14 16 +CONECT 16 19 19 15 18 +CONECT 17 13 13 19 +CONECT 18 20 16 +CONECT 19 17 21 16 16 +CONECT 20 21 23 23 18 +CONECT 21 24 19 20 +CONECT 22 14 +CONECT 23 20 20 +CONECT 24 21 +MASTER 0 0 0 0 0 0 0 0 24 0 24 0 +END diff --git a/s32717_cmpx.pdb b/s32717_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..325653de18a834005164b1ece9c004695ac5ac26 --- /dev/null +++ b/s32717_cmpx.pdb @@ -0,0 +1,1610 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -9.1 0.000 0.000 +REMARK CORE N12CCNCC1=CC=N2 +REMARK SMILES Cc1cc2oc(=O)[nH]c2cc1-c1cnn2c1CNCC2 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 9 9 10 10 11 11 12 13 13 14 +REMARK SMILES IDX 16 15 14 16 15 17 17 18 20 19 18 20 19 21 +REMARK H PARENT 8 12 18 22 +COMPND /tmp/tmpurv4wrw4/66394326_s32717_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 C UNL A 1 25.820 21.618 -7.503 1.00 0.00 C +ATOM 2 C UNL A 1 25.416 20.177 -7.692 1.00 0.00 C +ATOM 3 C UNL A 1 24.265 19.711 -7.027 1.00 0.00 C +ATOM 4 C UNL A 1 23.827 18.434 -7.312 1.00 0.00 C +ATOM 5 O UNL A 1 22.603 17.896 -6.949 1.00 0.00 O +ATOM 6 C UNL A 1 22.580 16.699 -7.681 1.00 0.00 C +ATOM 7 O UNL A 1 21.613 15.956 -7.750 1.00 0.00 O +ATOM 8 N UNL A 1 23.775 16.490 -8.329 1.00 0.00 N +ATOM 9 C UNL A 1 24.548 17.597 -8.128 1.00 0.00 C +ATOM 10 C UNL A 1 25.716 17.967 -8.734 1.00 0.00 C +ATOM 11 C UNL A 1 26.093 19.319 -8.609 1.00 0.00 C +ATOM 12 H UNL A 1 23.932 15.737 -8.977 1.00 0.00 H +ATOM 13 C UNL A 1 26.889 19.864 -9.693 1.00 0.00 C +ATOM 14 C UNL A 1 26.644 20.162 -11.049 1.00 0.00 C +ATOM 15 C UNL A 1 28.253 20.054 -9.544 1.00 0.00 C +ATOM 16 N UNL A 1 27.757 20.521 -11.704 1.00 0.00 N +ATOM 17 N UNL A 1 28.718 20.428 -10.764 1.00 0.00 N +ATOM 18 C UNL A 1 29.190 19.909 -8.400 1.00 0.00 C +ATOM 19 C UNL A 1 30.118 20.566 -11.103 1.00 0.00 C +ATOM 20 N UNL A 1 30.486 19.411 -8.844 1.00 0.00 N +ATOM 21 C UNL A 1 31.046 20.248 -9.912 1.00 0.00 C +ATOM 22 H UNL A 1 30.365 18.452 -9.168 1.00 0.00 H +CONECT 1 2 +CONECT 2 11 11 1 3 +CONECT 3 2 4 4 +CONECT 4 9 3 3 5 +CONECT 5 6 4 +CONECT 6 8 7 7 5 +CONECT 7 6 6 +CONECT 8 12 9 6 +CONECT 9 10 10 8 4 +CONECT 10 11 9 9 +CONECT 11 13 10 2 2 +CONECT 12 8 +CONECT 13 14 15 15 11 +CONECT 14 16 16 13 +CONECT 15 17 13 13 18 +CONECT 16 14 14 17 +CONECT 17 16 19 15 +CONECT 18 15 20 +CONECT 19 17 21 +CONECT 20 21 22 18 +CONECT 21 19 20 +CONECT 22 20 +MASTER 0 0 0 0 0 0 0 0 22 0 22 0 +END diff --git a/s327961_cmpx.pdb b/s327961_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..429109be645f6dd7e1fa81830dd241a14262554f --- /dev/null +++ b/s327961_cmpx.pdb @@ -0,0 +1,1608 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.7 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc([C@]34[C@H]5[C@@H]6C7[C@H]5[C@H]3[C@@H]7[C@@H]64)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 17 9 18 10 19 11 20 12 9 14 +REMARK SMILES IDX 10 15 14 16 16 17 11 18 13 19 15 20 12 21 +REMARK H PARENT 20 13 +COMPND /tmp/tmps60zlg1l/65194605_s327961_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.632 16.062 -7.749 1.00 0.00 O +ATOM 2 C UNL A 1 22.675 16.717 -7.713 1.00 0.00 C +ATOM 3 C UNL A 1 22.825 17.937 -6.785 1.00 0.00 C +ATOM 4 O UNL A 1 24.097 18.344 -6.303 1.00 0.00 O +ATOM 5 C UNL A 1 24.820 18.950 -7.292 1.00 0.00 C +ATOM 6 C UNL A 1 25.114 20.302 -7.176 1.00 0.00 C +ATOM 7 C UNL A 1 25.876 20.929 -8.167 1.00 0.00 C +ATOM 8 C UNL A 1 26.378 20.231 -9.283 1.00 0.00 C +ATOM 9 C UNL A 1 26.070 18.855 -9.344 1.00 0.00 C +ATOM 10 C UNL A 1 25.312 18.204 -8.358 1.00 0.00 C +ATOM 11 C UNL A 1 25.063 16.729 -8.408 1.00 0.00 C +ATOM 12 N UNL A 1 23.671 16.402 -8.593 1.00 0.00 N +ATOM 13 H UNL A 1 23.458 15.568 -9.125 1.00 0.00 H +ATOM 14 C UNL A 1 27.209 20.917 -10.373 1.00 0.00 C +ATOM 15 C UNL A 1 28.711 20.562 -10.781 1.00 0.00 C +ATOM 16 C UNL A 1 26.869 21.027 -11.865 1.00 0.00 C +ATOM 17 C UNL A 1 27.580 22.469 -10.379 1.00 0.00 C +ATOM 18 C UNL A 1 29.079 22.114 -10.784 1.00 0.00 C +ATOM 19 C UNL A 1 28.315 20.686 -12.256 1.00 0.00 C +ATOM 20 C UNL A 1 27.221 22.524 -11.868 1.00 0.00 C +ATOM 21 C UNL A 1 28.668 22.182 -12.259 1.00 0.00 C +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 16 15 17 8 +CONECT 15 19 18 14 +CONECT 16 19 20 14 +CONECT 17 20 18 14 +CONECT 18 21 15 17 +CONECT 19 21 16 15 +CONECT 20 21 16 17 +CONECT 21 19 20 18 +MASTER 0 0 0 0 0 0 0 0 21 0 21 0 +END diff --git a/s372256_cmpx.pdb b/s372256_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..6a96f571481d1db5765fc31da5f614b9407862b7 --- /dev/null +++ b/s372256_cmpx.pdb @@ -0,0 +1,1608 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.5 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc([C@@H](F)c3ccncc3)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 17 9 18 10 19 11 20 12 9 14 +REMARK SMILES IDX 10 15 11 16 12 17 16 18 13 19 15 20 14 21 +REMARK H PARENT 20 13 +COMPND /tmp/tmpqfje1ttr/58681177_s372256_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.765 16.072 -7.694 1.00 0.00 O +ATOM 2 C UNL A 1 22.803 16.738 -7.693 1.00 0.00 C +ATOM 3 C UNL A 1 22.948 17.990 -6.811 1.00 0.00 C +ATOM 4 O UNL A 1 24.222 18.441 -6.375 1.00 0.00 O +ATOM 5 C UNL A 1 24.912 19.019 -7.405 1.00 0.00 C +ATOM 6 C UNL A 1 25.165 20.387 -7.351 1.00 0.00 C +ATOM 7 C UNL A 1 25.911 20.992 -8.364 1.00 0.00 C +ATOM 8 C UNL A 1 26.426 20.225 -9.422 1.00 0.00 C +ATOM 9 C UNL A 1 26.166 18.843 -9.451 1.00 0.00 C +ATOM 10 C UNL A 1 25.414 18.230 -8.440 1.00 0.00 C +ATOM 11 C UNL A 1 25.185 16.750 -8.421 1.00 0.00 C +ATOM 12 N UNL A 1 23.794 16.399 -8.569 1.00 0.00 N +ATOM 13 H UNL A 1 23.583 15.544 -9.068 1.00 0.00 H +ATOM 14 C UNL A 1 27.254 20.865 -10.524 1.00 0.00 C +ATOM 15 F UNL A 1 27.094 22.227 -10.535 1.00 0.00 F +ATOM 16 C UNL A 1 28.719 20.494 -10.432 1.00 0.00 C +ATOM 17 C UNL A 1 29.318 20.195 -9.203 1.00 0.00 C +ATOM 18 C UNL A 1 29.514 20.457 -11.583 1.00 0.00 C +ATOM 19 C UNL A 1 30.667 19.877 -9.182 1.00 0.00 C +ATOM 20 C UNL A 1 30.853 20.129 -11.458 1.00 0.00 C +ATOM 21 N UNL A 1 31.447 19.838 -10.282 1.00 0.00 N +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 15 16 8 +CONECT 15 14 +CONECT 16 18 18 14 17 +CONECT 17 16 19 19 +CONECT 18 20 16 16 +CONECT 19 21 17 17 +CONECT 20 18 21 21 +CONECT 21 20 20 19 +MASTER 0 0 0 0 0 0 0 0 21 0 21 0 +END diff --git a/s395805_cmpx.pdb b/s395805_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..7393af6c0f2220b9438704c8c707c1a90c7d077f --- /dev/null +++ b/s395805_cmpx.pdb @@ -0,0 +1,1612 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.9 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc([C@@H]3CCc4n[nH]cc4C3)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 18 9 19 10 20 11 21 12 9 14 +REMARK SMILES IDX 10 15 17 16 11 17 16 18 12 19 15 20 13 21 14 22 +REMARK H PARENT 21 13 14 23 +COMPND /tmp/tmpr8bf7cuo/66433429_s395805_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.772 16.055 -7.592 1.00 0.00 O +ATOM 2 C UNL A 1 22.762 16.781 -7.691 1.00 0.00 C +ATOM 3 C UNL A 1 22.963 18.013 -6.787 1.00 0.00 C +ATOM 4 O UNL A 1 24.259 18.442 -6.394 1.00 0.00 O +ATOM 5 C UNL A 1 24.916 19.050 -7.427 1.00 0.00 C +ATOM 6 C UNL A 1 25.233 20.401 -7.317 1.00 0.00 C +ATOM 7 C UNL A 1 25.921 21.039 -8.354 1.00 0.00 C +ATOM 8 C UNL A 1 26.309 20.324 -9.498 1.00 0.00 C +ATOM 9 C UNL A 1 26.008 18.956 -9.572 1.00 0.00 C +ATOM 10 C UNL A 1 25.324 18.308 -8.536 1.00 0.00 C +ATOM 11 C UNL A 1 25.052 16.840 -8.594 1.00 0.00 C +ATOM 12 N UNL A 1 23.646 16.551 -8.710 1.00 0.00 N +ATOM 13 H UNL A 1 23.392 15.736 -9.254 1.00 0.00 H +ATOM 14 C UNL A 1 27.034 20.982 -10.658 1.00 0.00 C +ATOM 15 C UNL A 1 26.088 21.314 -11.842 1.00 0.00 C +ATOM 16 C UNL A 1 28.254 20.139 -11.116 1.00 0.00 C +ATOM 17 C UNL A 1 26.805 22.166 -12.909 1.00 0.00 C +ATOM 18 C UNL A 1 28.833 20.696 -12.367 1.00 0.00 C +ATOM 19 C UNL A 1 28.156 21.613 -13.203 1.00 0.00 C +ATOM 20 C UNL A 1 30.036 20.479 -12.994 1.00 0.00 C +ATOM 21 N UNL A 1 28.879 21.960 -14.268 1.00 0.00 N +ATOM 22 N UNL A 1 30.017 21.251 -14.120 1.00 0.00 N +ATOM 23 H UNL A 1 30.737 21.351 -14.829 1.00 0.00 H +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 15 16 8 +CONECT 15 17 14 +CONECT 16 18 14 +CONECT 17 19 15 +CONECT 18 19 20 20 16 +CONECT 19 21 21 17 18 +CONECT 20 22 18 18 +CONECT 21 22 19 19 +CONECT 22 23 21 20 +CONECT 23 22 +MASTER 0 0 0 0 0 0 0 0 23 0 23 0 +END diff --git a/s435209_cmpx.pdb b/s435209_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..c054efa3966f2c639f3580ea88e2ff472e152989 --- /dev/null +++ b/s435209_cmpx.pdb @@ -0,0 +1,1612 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.8 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccccc2CN1[C@@H]1CCc2cc(O)ccc21 +REMARK SMILES IDX 13 1 14 2 15 3 16 4 17 5 18 6 20 7 21 8 22 9 12 10 2 11 3 12 +REMARK SMILES IDX 4 13 11 14 5 15 10 16 6 17 9 18 7 19 8 20 1 21 19 22 +REMARK H PARENT 19 23 +COMPND /tmp/tmpvt1snk8n/66455391_s435209_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 C UNL A 1 25.934 19.244 -8.018 1.00 0.00 C +ATOM 2 C UNL A 1 26.367 18.481 -9.302 1.00 0.00 C +ATOM 3 C UNL A 1 25.975 17.025 -9.069 1.00 0.00 C +ATOM 4 C UNL A 1 24.684 17.230 -8.341 1.00 0.00 C +ATOM 5 C UNL A 1 23.621 16.346 -8.270 1.00 0.00 C +ATOM 6 C UNL A 1 22.504 16.740 -7.544 1.00 0.00 C +ATOM 7 C UNL A 1 22.482 17.949 -6.847 1.00 0.00 C +ATOM 8 C UNL A 1 23.564 18.831 -6.924 1.00 0.00 C +ATOM 9 C UNL A 1 24.656 18.490 -7.709 1.00 0.00 C +ATOM 10 N UNL A 1 25.830 20.702 -8.172 1.00 0.00 N +ATOM 11 C UNL A 1 26.596 21.280 -9.190 1.00 0.00 C +ATOM 12 C UNL A 1 28.043 21.667 -8.825 1.00 0.00 C +ATOM 13 O UNL A 1 28.295 22.517 -7.718 1.00 0.00 O +ATOM 14 C UNL A 1 25.741 21.512 -6.960 1.00 0.00 C +ATOM 15 C UNL A 1 28.188 21.853 -6.526 1.00 0.00 C +ATOM 16 C UNL A 1 26.951 21.379 -6.082 1.00 0.00 C +ATOM 17 C UNL A 1 29.326 21.728 -5.737 1.00 0.00 C +ATOM 18 C UNL A 1 26.871 20.754 -4.828 1.00 0.00 C +ATOM 19 C UNL A 1 29.242 21.093 -4.498 1.00 0.00 C +ATOM 20 C UNL A 1 28.015 20.611 -4.043 1.00 0.00 C +ATOM 21 O UNL A 1 26.199 21.314 -10.358 1.00 0.00 O +ATOM 22 O UNL A 1 21.381 15.968 -7.511 1.00 0.00 O +ATOM 23 H UNL A 1 20.838 16.274 -6.765 1.00 0.00 H +CONECT 1 2 10 9 +CONECT 2 3 1 +CONECT 3 2 4 +CONECT 4 3 5 5 9 +CONECT 5 4 4 6 +CONECT 6 5 22 7 7 +CONECT 7 6 6 8 +CONECT 8 9 9 7 +CONECT 9 4 1 8 8 +CONECT 10 11 1 14 +CONECT 11 21 21 12 10 +CONECT 12 11 13 +CONECT 13 12 15 +CONECT 14 10 16 +CONECT 15 13 16 16 17 +CONECT 16 14 15 15 18 +CONECT 17 15 19 19 +CONECT 18 16 20 20 +CONECT 19 17 17 20 +CONECT 20 18 18 19 +CONECT 21 11 11 +CONECT 22 6 23 +CONECT 23 22 +MASTER 0 0 0 0 0 0 0 0 23 0 23 0 +END diff --git a/s441821_cmpx.pdb b/s441821_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..04360383db635f145f5e22b5cc298814fb3e5ba3 --- /dev/null +++ b/s441821_cmpx.pdb @@ -0,0 +1,1610 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.4 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc([C@@H]3CNCCC3(F)F)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 17 9 18 10 19 11 20 12 9 14 +REMARK SMILES IDX 10 15 14 16 11 17 13 18 12 19 15 20 16 21 +REMARK H PARENT 20 13 11 22 +COMPND /tmp/tmp0ad92rug/66459345_s441821_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.406 16.112 -7.587 1.00 0.00 O +ATOM 2 C UNL A 1 22.492 16.689 -7.610 1.00 0.00 C +ATOM 3 C UNL A 1 22.780 17.875 -6.673 1.00 0.00 C +ATOM 4 O UNL A 1 24.107 18.239 -6.345 1.00 0.00 O +ATOM 5 C UNL A 1 24.729 18.819 -7.415 1.00 0.00 C +ATOM 6 C UNL A 1 25.039 20.168 -7.344 1.00 0.00 C +ATOM 7 C UNL A 1 25.801 20.749 -8.355 1.00 0.00 C +ATOM 8 C UNL A 1 26.290 19.986 -9.427 1.00 0.00 C +ATOM 9 C UNL A 1 25.919 18.631 -9.501 1.00 0.00 C +ATOM 10 C UNL A 1 25.144 18.037 -8.491 1.00 0.00 C +ATOM 11 C UNL A 1 24.828 16.573 -8.493 1.00 0.00 C +ATOM 12 N UNL A 1 23.410 16.310 -8.547 1.00 0.00 N +ATOM 13 H UNL A 1 23.105 15.505 -9.078 1.00 0.00 H +ATOM 14 C UNL A 1 27.338 20.526 -10.402 1.00 0.00 C +ATOM 15 C UNL A 1 28.488 21.223 -9.648 1.00 0.00 C +ATOM 16 C UNL A 1 26.866 21.464 -11.513 1.00 0.00 C +ATOM 17 N UNL A 1 28.114 22.557 -9.159 1.00 0.00 N +ATOM 18 C UNL A 1 26.571 22.886 -11.081 1.00 0.00 C +ATOM 19 C UNL A 1 27.714 23.450 -10.243 1.00 0.00 C +ATOM 20 F UNL A 1 27.861 21.522 -12.455 1.00 0.00 F +ATOM 21 F UNL A 1 25.795 20.944 -12.163 1.00 0.00 F +ATOM 22 H UNL A 1 28.895 22.961 -8.641 1.00 0.00 H +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 16 15 8 +CONECT 15 14 17 +CONECT 16 20 21 18 14 +CONECT 17 19 15 22 +CONECT 18 16 19 +CONECT 19 18 17 +CONECT 20 16 +CONECT 21 16 +CONECT 22 17 +MASTER 0 0 0 0 0 0 0 0 22 0 22 0 +END diff --git a/s444820_cmpx.pdb b/s444820_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..ec470a145a741f09dcee8fc35091ac7e68bf7373 --- /dev/null +++ b/s444820_cmpx.pdb @@ -0,0 +1,1608 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.6 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(C34CCN(CC3)CC4)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 17 9 18 10 19 11 20 12 9 14 +REMARK SMILES IDX 10 15 14 16 16 17 11 18 13 19 15 20 12 21 +REMARK H PARENT 20 13 +COMPND /tmp/tmpp9jhh6t9/58721931_s444820_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.705 16.121 -7.681 1.00 0.00 O +ATOM 2 C UNL A 1 22.760 16.759 -7.700 1.00 0.00 C +ATOM 3 C UNL A 1 22.980 17.969 -6.772 1.00 0.00 C +ATOM 4 O UNL A 1 24.285 18.376 -6.382 1.00 0.00 O +ATOM 5 C UNL A 1 24.931 18.987 -7.420 1.00 0.00 C +ATOM 6 C UNL A 1 25.229 20.340 -7.323 1.00 0.00 C +ATOM 7 C UNL A 1 25.899 20.977 -8.371 1.00 0.00 C +ATOM 8 C UNL A 1 26.293 20.275 -9.526 1.00 0.00 C +ATOM 9 C UNL A 1 26.007 18.897 -9.573 1.00 0.00 C +ATOM 10 C UNL A 1 25.342 18.245 -8.524 1.00 0.00 C +ATOM 11 C UNL A 1 25.099 16.766 -8.551 1.00 0.00 C +ATOM 12 N UNL A 1 23.700 16.432 -8.634 1.00 0.00 N +ATOM 13 H UNL A 1 23.450 15.601 -9.154 1.00 0.00 H +ATOM 14 C UNL A 1 27.007 21.001 -10.672 1.00 0.00 C +ATOM 15 C UNL A 1 27.476 22.416 -10.244 1.00 0.00 C +ATOM 16 C UNL A 1 26.065 21.181 -11.891 1.00 0.00 C +ATOM 17 C UNL A 1 28.272 20.267 -11.204 1.00 0.00 C +ATOM 18 C UNL A 1 28.151 23.128 -11.427 1.00 0.00 C +ATOM 19 C UNL A 1 26.790 21.937 -13.015 1.00 0.00 C +ATOM 20 C UNL A 1 28.915 21.053 -12.353 1.00 0.00 C +ATOM 21 N UNL A 1 28.172 22.290 -12.642 1.00 0.00 N +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 16 17 15 8 +CONECT 15 18 14 +CONECT 16 19 14 +CONECT 17 20 14 +CONECT 18 21 15 +CONECT 19 21 16 +CONECT 20 21 17 +CONECT 21 19 20 18 +MASTER 0 0 0 0 0 0 0 0 21 0 21 0 +END diff --git a/s448078_cmpx.pdb b/s448078_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..80e5a185596c000f7075053860f61bfb4ae4c810 --- /dev/null +++ b/s448078_cmpx.pdb @@ -0,0 +1,1612 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.6 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(N3CCc4ncccc4C3)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 19 9 20 10 21 11 22 12 9 14 +REMARK SMILES IDX 10 15 18 16 11 17 17 18 12 19 16 20 13 21 15 22 14 23 +REMARK H PARENT 22 13 +COMPND /tmp/tmpwvsznklo/65330184_s448078_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.584 16.088 -7.572 1.00 0.00 O +ATOM 2 C UNL A 1 22.636 16.726 -7.627 1.00 0.00 C +ATOM 3 C UNL A 1 22.864 17.967 -6.749 1.00 0.00 C +ATOM 4 O UNL A 1 24.178 18.354 -6.373 1.00 0.00 O +ATOM 5 C UNL A 1 24.828 18.935 -7.423 1.00 0.00 C +ATOM 6 C UNL A 1 25.144 20.281 -7.347 1.00 0.00 C +ATOM 7 C UNL A 1 25.864 20.880 -8.385 1.00 0.00 C +ATOM 8 C UNL A 1 26.306 20.154 -9.507 1.00 0.00 C +ATOM 9 C UNL A 1 25.955 18.792 -9.547 1.00 0.00 C +ATOM 10 C UNL A 1 25.234 18.169 -8.512 1.00 0.00 C +ATOM 11 C UNL A 1 24.970 16.696 -8.519 1.00 0.00 C +ATOM 12 N UNL A 1 23.565 16.369 -8.562 1.00 0.00 N +ATOM 13 H UNL A 1 23.306 15.516 -9.044 1.00 0.00 H +ATOM 14 N UNL A 1 27.074 20.740 -10.504 1.00 0.00 N +ATOM 15 C UNL A 1 28.453 20.280 -10.766 1.00 0.00 C +ATOM 16 C UNL A 1 26.516 21.813 -11.342 1.00 0.00 C +ATOM 17 C UNL A 1 29.249 21.272 -11.620 1.00 0.00 C +ATOM 18 C UNL A 1 27.097 21.779 -12.728 1.00 0.00 C +ATOM 19 C UNL A 1 28.466 21.559 -12.868 1.00 0.00 C +ATOM 20 C UNL A 1 26.341 21.982 -13.881 1.00 0.00 C +ATOM 21 N UNL A 1 29.107 21.550 -14.060 1.00 0.00 N +ATOM 22 C UNL A 1 26.973 21.953 -15.120 1.00 0.00 C +ATOM 23 C UNL A 1 28.343 21.744 -15.157 1.00 0.00 C +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 16 15 8 +CONECT 15 17 14 +CONECT 16 18 14 +CONECT 17 19 15 +CONECT 18 20 20 19 16 +CONECT 19 21 21 18 17 +CONECT 20 22 18 18 +CONECT 21 23 19 19 +CONECT 22 23 23 20 +CONECT 23 22 22 21 +MASTER 0 0 0 0 0 0 0 0 23 0 23 0 +END diff --git a/s462903_cmpx.pdb b/s462903_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..ba01fed9ba7b83a7d7fb6370dbd787cd15656dda --- /dev/null +++ b/s462903_cmpx.pdb @@ -0,0 +1,1612 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.6 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc([C@@H]3NCc4ccccc43)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 18 9 19 10 20 11 21 12 9 14 +REMARK SMILES IDX 10 15 17 16 11 17 12 18 16 19 13 20 15 21 14 22 +REMARK H PARENT 21 13 10 23 +COMPND /tmp/tmph75or4zf/65346623_s462903_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.794 16.088 -7.782 1.00 0.00 O +ATOM 2 C UNL A 1 22.801 16.805 -7.765 1.00 0.00 C +ATOM 3 C UNL A 1 22.954 17.938 -6.738 1.00 0.00 C +ATOM 4 O UNL A 1 24.231 18.400 -6.337 1.00 0.00 O +ATOM 5 C UNL A 1 24.830 19.136 -7.322 1.00 0.00 C +ATOM 6 C UNL A 1 25.096 20.477 -7.068 1.00 0.00 C +ATOM 7 C UNL A 1 25.846 21.221 -7.980 1.00 0.00 C +ATOM 8 C UNL A 1 26.332 20.633 -9.158 1.00 0.00 C +ATOM 9 C UNL A 1 26.022 19.280 -9.406 1.00 0.00 C +ATOM 10 C UNL A 1 25.292 18.518 -8.484 1.00 0.00 C +ATOM 11 C UNL A 1 25.116 17.040 -8.660 1.00 0.00 C +ATOM 12 N UNL A 1 23.735 16.630 -8.743 1.00 0.00 N +ATOM 13 H UNL A 1 23.529 15.828 -9.323 1.00 0.00 H +ATOM 14 C UNL A 1 27.326 21.330 -10.087 1.00 0.00 C +ATOM 15 N UNL A 1 27.068 20.865 -11.489 1.00 0.00 N +ATOM 16 C UNL A 1 28.789 21.082 -9.843 1.00 0.00 C +ATOM 17 C UNL A 1 28.371 20.512 -12.092 1.00 0.00 C +ATOM 18 C UNL A 1 29.372 20.561 -10.994 1.00 0.00 C +ATOM 19 C UNL A 1 29.554 21.323 -8.711 1.00 0.00 C +ATOM 20 C UNL A 1 30.711 20.206 -11.030 1.00 0.00 C +ATOM 21 C UNL A 1 30.906 20.972 -8.733 1.00 0.00 C +ATOM 22 C UNL A 1 31.479 20.404 -9.883 1.00 0.00 C +ATOM 23 H UNL A 1 26.543 19.994 -11.413 1.00 0.00 H +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 15 16 8 +CONECT 15 17 23 14 +CONECT 16 18 18 14 19 +CONECT 17 15 18 +CONECT 18 17 20 16 16 +CONECT 19 16 21 21 +CONECT 20 18 22 22 +CONECT 21 22 19 19 +CONECT 22 20 20 21 +CONECT 23 15 +MASTER 0 0 0 0 0 0 0 0 23 0 23 0 +END diff --git a/s478660_cmpx.pdb b/s478660_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..acbe268de73eb3db0c73e1f9698d55348e5b5993 --- /dev/null +++ b/s478660_cmpx.pdb @@ -0,0 +1,1612 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.7 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(-c3cccnc3N3CCC3)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 19 9 20 10 21 11 22 12 9 14 +REMARK SMILES IDX 10 15 14 16 11 17 13 18 12 19 15 20 16 21 18 22 17 23 +REMARK H PARENT 22 13 +COMPND /tmp/tmpieq0a527/58741271_s478660_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.744 16.077 -7.633 1.00 0.00 O +ATOM 2 C UNL A 1 22.781 16.739 -7.690 1.00 0.00 C +ATOM 3 C UNL A 1 22.954 18.036 -6.878 1.00 0.00 C +ATOM 4 O UNL A 1 24.239 18.471 -6.454 1.00 0.00 O +ATOM 5 C UNL A 1 24.941 18.999 -7.501 1.00 0.00 C +ATOM 6 C UNL A 1 25.268 20.347 -7.472 1.00 0.00 C +ATOM 7 C UNL A 1 25.997 20.898 -8.529 1.00 0.00 C +ATOM 8 C UNL A 1 26.364 20.138 -9.655 1.00 0.00 C +ATOM 9 C UNL A 1 26.049 18.764 -9.626 1.00 0.00 C +ATOM 10 C UNL A 1 25.373 18.182 -8.542 1.00 0.00 C +ATOM 11 C UNL A 1 25.144 16.705 -8.462 1.00 0.00 C +ATOM 12 N UNL A 1 23.752 16.352 -8.571 1.00 0.00 N +ATOM 13 H UNL A 1 23.532 15.471 -9.017 1.00 0.00 H +ATOM 14 C UNL A 1 27.060 20.738 -10.827 1.00 0.00 C +ATOM 15 C UNL A 1 26.306 21.194 -11.927 1.00 0.00 C +ATOM 16 C UNL A 1 28.469 20.883 -10.928 1.00 0.00 C +ATOM 17 C UNL A 1 26.916 21.776 -13.031 1.00 0.00 C +ATOM 18 N UNL A 1 29.069 21.426 -12.022 1.00 0.00 N +ATOM 19 C UNL A 1 28.294 21.867 -13.030 1.00 0.00 C +ATOM 20 N UNL A 1 29.308 20.450 -9.869 1.00 0.00 N +ATOM 21 C UNL A 1 30.633 19.926 -10.050 1.00 0.00 C +ATOM 22 C UNL A 1 29.700 21.331 -8.799 1.00 0.00 C +ATOM 23 C UNL A 1 31.113 20.779 -8.886 1.00 0.00 C +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 15 15 16 8 +CONECT 15 17 14 14 +CONECT 16 18 18 14 20 +CONECT 17 19 19 15 +CONECT 18 19 16 16 +CONECT 19 17 17 18 +CONECT 20 16 21 22 +CONECT 21 20 23 +CONECT 22 20 23 +CONECT 23 21 22 +MASTER 0 0 0 0 0 0 0 0 23 0 23 0 +END diff --git a/s491451_cmpx.pdb b/s491451_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..ceaf46ea2d1d801bfb4a47da5db42d217086a9b8 --- /dev/null +++ b/s491451_cmpx.pdb @@ -0,0 +1,1608 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.4 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc([C@@H]3CC4CCN3CC4)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 17 9 18 10 19 11 20 12 9 14 +REMARK SMILES IDX 10 15 14 16 11 17 13 18 15 19 12 20 16 21 +REMARK H PARENT 20 13 +COMPND /tmp/tmpvt1snk8n/65377801_s491451_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.778 16.058 -7.788 1.00 0.00 O +ATOM 2 C UNL A 1 22.793 16.757 -7.757 1.00 0.00 C +ATOM 3 C UNL A 1 22.904 17.977 -6.823 1.00 0.00 C +ATOM 4 O UNL A 1 24.159 18.388 -6.296 1.00 0.00 O +ATOM 5 C UNL A 1 24.893 19.033 -7.255 1.00 0.00 C +ATOM 6 C UNL A 1 25.189 20.379 -7.083 1.00 0.00 C +ATOM 7 C UNL A 1 25.906 21.065 -8.071 1.00 0.00 C +ATOM 8 C UNL A 1 26.317 20.413 -9.246 1.00 0.00 C +ATOM 9 C UNL A 1 26.097 19.025 -9.332 1.00 0.00 C +ATOM 10 C UNL A 1 25.385 18.329 -8.347 1.00 0.00 C +ATOM 11 C UNL A 1 25.173 16.852 -8.446 1.00 0.00 C +ATOM 12 N UNL A 1 23.790 16.500 -8.654 1.00 0.00 N +ATOM 13 H UNL A 1 23.606 15.669 -9.203 1.00 0.00 H +ATOM 14 C UNL A 1 27.058 21.147 -10.370 1.00 0.00 C +ATOM 15 C UNL A 1 27.647 20.231 -11.481 1.00 0.00 C +ATOM 16 N UNL A 1 28.121 22.078 -9.869 1.00 0.00 N +ATOM 17 C UNL A 1 29.124 20.578 -11.729 1.00 0.00 C +ATOM 18 C UNL A 1 29.280 21.315 -9.348 1.00 0.00 C +ATOM 19 C UNL A 1 28.587 22.914 -10.996 1.00 0.00 C +ATOM 20 C UNL A 1 29.863 20.368 -10.403 1.00 0.00 C +ATOM 21 C UNL A 1 29.221 22.063 -12.105 1.00 0.00 C +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 15 16 8 +CONECT 15 17 14 +CONECT 16 19 14 18 +CONECT 17 21 15 20 +CONECT 18 20 16 +CONECT 19 21 16 +CONECT 20 17 18 +CONECT 21 17 19 +MASTER 0 0 0 0 0 0 0 0 21 0 21 0 +END diff --git a/s49739_cmpx.pdb b/s49739_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..ae7ede750ccd246d6570ec7194e1f64e16624a86 --- /dev/null +++ b/s49739_cmpx.pdb @@ -0,0 +1,1610 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.6 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc([C@@H]3[C@H]4C[C@@H]5CN(C4)C[C@@H]53)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 18 9 19 10 20 11 21 12 9 14 +REMARK SMILES IDX 10 15 17 16 11 17 15 18 12 19 16 20 14 21 13 22 +REMARK H PARENT 21 13 +COMPND /tmp/tmp9pequiwc/58751398_s49739_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.640 16.034 -7.679 1.00 0.00 O +ATOM 2 C UNL A 1 22.666 16.718 -7.688 1.00 0.00 C +ATOM 3 C UNL A 1 22.813 17.951 -6.781 1.00 0.00 C +ATOM 4 O UNL A 1 24.087 18.391 -6.343 1.00 0.00 O +ATOM 5 C UNL A 1 24.784 18.990 -7.354 1.00 0.00 C +ATOM 6 C UNL A 1 25.095 20.340 -7.235 1.00 0.00 C +ATOM 7 C UNL A 1 25.917 20.952 -8.184 1.00 0.00 C +ATOM 8 C UNL A 1 26.448 20.222 -9.259 1.00 0.00 C +ATOM 9 C UNL A 1 26.117 18.857 -9.358 1.00 0.00 C +ATOM 10 C UNL A 1 25.287 18.233 -8.410 1.00 0.00 C +ATOM 11 C UNL A 1 25.033 16.756 -8.453 1.00 0.00 C +ATOM 12 N UNL A 1 23.638 16.422 -8.601 1.00 0.00 N +ATOM 13 H UNL A 1 23.420 15.579 -9.116 1.00 0.00 H +ATOM 14 C UNL A 1 27.521 20.817 -10.149 1.00 0.00 C +ATOM 15 C UNL A 1 27.874 22.313 -10.024 1.00 0.00 C +ATOM 16 C UNL A 1 27.379 20.734 -11.687 1.00 0.00 C +ATOM 17 C UNL A 1 29.101 22.332 -10.942 1.00 0.00 C +ATOM 18 C UNL A 1 26.769 23.212 -10.665 1.00 0.00 C +ATOM 19 C UNL A 1 28.490 21.719 -12.211 1.00 0.00 C +ATOM 20 C UNL A 1 26.079 21.418 -12.124 1.00 0.00 C +ATOM 21 N UNL A 1 26.448 22.847 -12.084 1.00 0.00 N +ATOM 22 C UNL A 1 27.691 22.833 -12.886 1.00 0.00 C +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 16 15 8 +CONECT 15 17 18 14 +CONECT 16 19 20 14 +CONECT 17 19 15 +CONECT 18 21 15 +CONECT 19 22 16 17 +CONECT 20 21 16 +CONECT 21 22 20 18 +CONECT 22 19 21 +MASTER 0 0 0 0 0 0 0 0 22 0 22 0 +END diff --git a/s502814_cmpx.pdb b/s502814_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..a74a6d02f298a616d8e5113102d741f96efcdf12 --- /dev/null +++ b/s502814_cmpx.pdb @@ -0,0 +1,1614 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.5 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(N3Cc4ccccc4CN3)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 19 9 20 10 21 11 22 12 9 14 +REMARK SMILES IDX 10 15 18 16 11 17 17 18 12 19 16 20 13 21 15 22 14 23 +REMARK H PARENT 22 13 18 24 +COMPND /tmp/tmpxjx8_7i8/65390381_s502814_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.549 16.075 -7.508 1.00 0.00 O +ATOM 2 C UNL A 1 22.581 16.746 -7.602 1.00 0.00 C +ATOM 3 C UNL A 1 22.781 18.027 -6.783 1.00 0.00 C +ATOM 4 O UNL A 1 24.082 18.415 -6.367 1.00 0.00 O +ATOM 5 C UNL A 1 24.788 18.963 -7.402 1.00 0.00 C +ATOM 6 C UNL A 1 25.168 20.294 -7.309 1.00 0.00 C +ATOM 7 C UNL A 1 25.942 20.875 -8.324 1.00 0.00 C +ATOM 8 C UNL A 1 26.360 20.139 -9.447 1.00 0.00 C +ATOM 9 C UNL A 1 25.996 18.774 -9.475 1.00 0.00 C +ATOM 10 C UNL A 1 25.211 18.177 -8.469 1.00 0.00 C +ATOM 11 C UNL A 1 24.915 16.707 -8.477 1.00 0.00 C +ATOM 12 N UNL A 1 23.507 16.390 -8.541 1.00 0.00 N +ATOM 13 H UNL A 1 23.262 15.514 -8.987 1.00 0.00 H +ATOM 14 N UNL A 1 27.158 20.715 -10.475 1.00 0.00 N +ATOM 15 C UNL A 1 26.457 21.146 -11.718 1.00 0.00 C +ATOM 16 N UNL A 1 28.524 20.293 -10.562 1.00 0.00 N +ATOM 17 C UNL A 1 27.408 21.537 -12.839 1.00 0.00 C +ATOM 18 C UNL A 1 29.309 21.350 -11.214 1.00 0.00 C +ATOM 19 C UNL A 1 26.914 21.812 -14.123 1.00 0.00 C +ATOM 20 C UNL A 1 28.792 21.629 -12.603 1.00 0.00 C +ATOM 21 C UNL A 1 27.784 22.167 -15.157 1.00 0.00 C +ATOM 22 C UNL A 1 29.656 22.006 -13.640 1.00 0.00 C +ATOM 23 C UNL A 1 29.153 22.265 -14.915 1.00 0.00 C +ATOM 24 H UNL A 1 28.577 19.450 -11.138 1.00 0.00 H +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 15 16 8 +CONECT 15 17 14 +CONECT 16 18 24 14 +CONECT 17 19 19 20 15 +CONECT 18 20 16 +CONECT 19 21 17 17 +CONECT 20 22 22 17 18 +CONECT 21 23 23 19 +CONECT 22 23 20 20 +CONECT 23 21 21 22 +CONECT 24 16 +MASTER 0 0 0 0 0 0 0 0 24 0 24 0 +END diff --git a/s570458_cmpx.pdb b/s570458_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..bbcf4b336be523800644c84842fe261670cb3826 --- /dev/null +++ b/s570458_cmpx.pdb @@ -0,0 +1,1608 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.5 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=c1ccn(-c2ccc3c(c2)CNCCO3)c(=O)[nH]1 +REMARK SMILES IDX 6 1 7 2 8 3 9 4 10 5 11 6 12 7 13 8 14 9 15 10 16 11 5 13 +REMARK SMILES IDX 2 14 3 15 19 16 4 17 17 18 1 19 18 21 +REMARK H PARENT 13 12 19 20 +COMPND /tmp/tmpwt1emq68/58791851_s570458_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 C UNL A 1 25.973 18.942 -7.429 1.00 0.00 C +ATOM 2 C UNL A 1 26.690 19.244 -8.586 1.00 0.00 C +ATOM 3 C UNL A 1 27.759 20.136 -8.532 1.00 0.00 C +ATOM 4 C UNL A 1 28.158 20.720 -7.323 1.00 0.00 C +ATOM 5 C UNL A 1 27.527 20.349 -6.127 1.00 0.00 C +ATOM 6 C UNL A 1 26.403 19.497 -6.212 1.00 0.00 C +ATOM 7 C UNL A 1 27.953 20.816 -4.751 1.00 0.00 C +ATOM 8 N UNL A 1 29.398 20.874 -4.543 1.00 0.00 N +ATOM 9 C UNL A 1 30.056 21.988 -5.234 1.00 0.00 C +ATOM 10 C UNL A 1 29.315 22.579 -6.435 1.00 0.00 C +ATOM 11 O UNL A 1 29.187 21.607 -7.465 1.00 0.00 O +ATOM 12 H UNL A 1 29.805 19.994 -4.865 1.00 0.00 H +ATOM 13 N UNL A 1 24.789 18.127 -7.482 1.00 0.00 N +ATOM 14 C UNL A 1 22.453 16.585 -7.639 1.00 0.00 C +ATOM 15 C UNL A 1 22.487 17.849 -6.897 1.00 0.00 C +ATOM 16 N UNL A 1 23.621 16.229 -8.242 1.00 0.00 N +ATOM 17 C UNL A 1 23.629 18.538 -6.843 1.00 0.00 C +ATOM 18 C UNL A 1 24.807 16.927 -8.220 1.00 0.00 C +ATOM 19 O UNL A 1 21.431 15.914 -7.701 1.00 0.00 O +ATOM 20 H UNL A 1 23.631 15.355 -8.745 1.00 0.00 H +ATOM 21 O UNL A 1 25.778 16.443 -8.801 1.00 0.00 O +CONECT 1 2 2 13 6 +CONECT 2 3 1 1 +CONECT 3 2 4 4 +CONECT 4 3 3 11 5 +CONECT 5 4 6 6 7 +CONECT 6 1 5 5 +CONECT 7 5 8 +CONECT 8 9 12 7 +CONECT 9 10 8 +CONECT 10 11 9 +CONECT 11 4 10 +CONECT 12 8 +CONECT 13 18 1 17 +CONECT 14 16 19 19 15 +CONECT 15 14 17 17 +CONECT 16 20 18 14 +CONECT 17 13 15 15 +CONECT 18 21 21 16 13 +CONECT 19 14 14 +CONECT 20 16 +CONECT 21 18 18 +MASTER 0 0 0 0 0 0 0 0 21 0 21 0 +END diff --git a/s611351_cmpx.pdb b/s611351_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..4bf385d88d80fa07c9049b2fd7ce61b286f05c55 --- /dev/null +++ b/s611351_cmpx.pdb @@ -0,0 +1,1608 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.5 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(C3=CC4CCN3CC4)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 17 9 18 10 19 11 20 12 9 14 +REMARK SMILES IDX 10 15 14 16 11 17 13 18 15 19 12 20 16 21 +REMARK H PARENT 20 13 +COMPND /tmp/tmp239qj125/65509309_s611351_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.763 16.061 -7.677 1.00 0.00 O +ATOM 2 C UNL A 1 22.775 16.764 -7.718 1.00 0.00 C +ATOM 3 C UNL A 1 22.915 18.030 -6.854 1.00 0.00 C +ATOM 4 O UNL A 1 24.181 18.473 -6.385 1.00 0.00 O +ATOM 5 C UNL A 1 24.918 19.034 -7.390 1.00 0.00 C +ATOM 6 C UNL A 1 25.252 20.382 -7.301 1.00 0.00 C +ATOM 7 C UNL A 1 26.040 20.971 -8.297 1.00 0.00 C +ATOM 8 C UNL A 1 26.506 20.217 -9.385 1.00 0.00 C +ATOM 9 C UNL A 1 26.190 18.849 -9.427 1.00 0.00 C +ATOM 10 C UNL A 1 25.404 18.246 -8.433 1.00 0.00 C +ATOM 11 C UNL A 1 25.137 16.777 -8.449 1.00 0.00 C +ATOM 12 N UNL A 1 23.742 16.462 -8.636 1.00 0.00 N +ATOM 13 H UNL A 1 23.532 15.611 -9.140 1.00 0.00 H +ATOM 14 C UNL A 1 27.326 20.814 -10.454 1.00 0.00 C +ATOM 15 C UNL A 1 26.959 20.966 -11.740 1.00 0.00 C +ATOM 16 N UNL A 1 28.662 21.220 -10.183 1.00 0.00 N +ATOM 17 C UNL A 1 28.061 21.550 -12.609 1.00 0.00 C +ATOM 18 C UNL A 1 28.870 22.671 -10.503 1.00 0.00 C +ATOM 19 C UNL A 1 29.645 20.436 -10.998 1.00 0.00 C +ATOM 20 C UNL A 1 28.462 22.903 -11.978 1.00 0.00 C +ATOM 21 C UNL A 1 29.280 20.604 -12.491 1.00 0.00 C +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 15 16 8 +CONECT 15 17 14 +CONECT 16 19 18 14 +CONECT 17 21 20 15 +CONECT 18 20 16 +CONECT 19 21 16 +CONECT 20 17 18 +CONECT 21 17 19 +MASTER 0 0 0 0 0 0 0 0 21 0 21 0 +END diff --git a/s636469_cmpx.pdb b/s636469_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..052e09af4ac6b6f946476cef1b55ed6fbd6f5d44 --- /dev/null +++ b/s636469_cmpx.pdb @@ -0,0 +1,1612 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.9 0.000 0.000 +REMARK CORE C12=CC=CC=C1NCCO2 +REMARK SMILES O=C1COc2ccc([N+]3CCOc4ccccc43)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 19 9 20 10 21 11 22 12 9 14 +REMARK SMILES IDX 10 15 18 16 11 17 13 18 17 19 12 20 14 21 16 22 15 23 +REMARK H PARENT 22 13 +COMPND /tmp/tmpbjz8kl0r/66568510_s636469_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.755 16.050 -7.694 1.00 0.00 O +ATOM 2 C UNL A 1 22.746 16.784 -7.713 1.00 0.00 C +ATOM 3 C UNL A 1 22.932 17.895 -6.671 1.00 0.00 C +ATOM 4 O UNL A 1 24.226 18.342 -6.312 1.00 0.00 O +ATOM 5 C UNL A 1 24.786 19.101 -7.298 1.00 0.00 C +ATOM 6 C UNL A 1 25.040 20.443 -7.025 1.00 0.00 C +ATOM 7 C UNL A 1 25.786 21.200 -7.927 1.00 0.00 C +ATOM 8 C UNL A 1 26.324 20.616 -9.082 1.00 0.00 C +ATOM 9 C UNL A 1 26.001 19.279 -9.369 1.00 0.00 C +ATOM 10 C UNL A 1 25.232 18.509 -8.479 1.00 0.00 C +ATOM 11 C UNL A 1 25.018 17.046 -8.714 1.00 0.00 C +ATOM 12 N UNL A 1 23.627 16.656 -8.747 1.00 0.00 N +ATOM 13 H UNL A 1 23.392 15.866 -9.333 1.00 0.00 H +ATOM 14 N UNL A 1 27.283 21.328 -9.837 1.00 0.00 N +ATOM 15 C UNL A 1 26.793 22.049 -11.022 1.00 0.00 C +ATOM 16 C UNL A 1 28.625 20.862 -9.994 1.00 0.00 C +ATOM 17 C UNL A 1 27.306 21.410 -12.307 1.00 0.00 C +ATOM 18 C UNL A 1 29.304 20.953 -11.226 1.00 0.00 C +ATOM 19 C UNL A 1 29.316 20.275 -8.917 1.00 0.00 C +ATOM 20 O UNL A 1 28.734 21.456 -12.372 1.00 0.00 O +ATOM 21 C UNL A 1 30.621 20.501 -11.362 1.00 0.00 C +ATOM 22 C UNL A 1 30.628 19.810 -9.057 1.00 0.00 C +ATOM 23 C UNL A 1 31.280 19.923 -10.278 1.00 0.00 C +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 15 16 8 +CONECT 15 17 14 +CONECT 16 18 18 14 19 +CONECT 17 20 15 +CONECT 18 20 21 16 16 +CONECT 19 16 22 22 +CONECT 20 17 18 +CONECT 21 18 23 23 +CONECT 22 23 19 19 +CONECT 23 21 21 22 +MASTER 0 0 0 0 0 0 0 0 23 0 23 0 +END diff --git a/s639660_cmpx.pdb b/s639660_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..02ad94c8c36c26a608fbf5b95adc350fd5ce90b8 --- /dev/null +++ b/s639660_cmpx.pdb @@ -0,0 +1,1614 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.5 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(-c3cc4n(n3)CCCNC4)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 19 9 20 10 21 11 22 12 9 14 +REMARK SMILES IDX 10 15 13 16 11 17 12 18 18 19 14 20 17 21 15 22 16 23 +REMARK H PARENT 22 13 17 24 +COMPND /tmp/tmps1uf2y3g/66570583_s639660_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.582 16.060 -7.639 1.00 0.00 O +ATOM 2 C UNL A 1 22.629 16.715 -7.681 1.00 0.00 C +ATOM 3 C UNL A 1 22.836 17.954 -6.794 1.00 0.00 C +ATOM 4 O UNL A 1 24.136 18.339 -6.366 1.00 0.00 O +ATOM 5 C UNL A 1 24.828 18.924 -7.391 1.00 0.00 C +ATOM 6 C UNL A 1 25.158 20.272 -7.289 1.00 0.00 C +ATOM 7 C UNL A 1 25.870 20.891 -8.321 1.00 0.00 C +ATOM 8 C UNL A 1 26.266 20.163 -9.455 1.00 0.00 C +ATOM 9 C UNL A 1 25.956 18.792 -9.510 1.00 0.00 C +ATOM 10 C UNL A 1 25.247 18.161 -8.479 1.00 0.00 C +ATOM 11 C UNL A 1 24.975 16.688 -8.503 1.00 0.00 C +ATOM 12 N UNL A 1 23.570 16.378 -8.611 1.00 0.00 N +ATOM 13 H UNL A 1 23.323 15.539 -9.117 1.00 0.00 H +ATOM 14 C UNL A 1 27.005 20.799 -10.556 1.00 0.00 C +ATOM 15 C UNL A 1 26.882 22.123 -11.064 1.00 0.00 C +ATOM 16 N UNL A 1 27.960 20.138 -11.232 1.00 0.00 N +ATOM 17 C UNL A 1 27.833 22.245 -12.056 1.00 0.00 C +ATOM 18 N UNL A 1 28.437 21.023 -12.123 1.00 0.00 N +ATOM 19 C UNL A 1 28.267 23.405 -12.868 1.00 0.00 C +ATOM 20 C UNL A 1 29.539 20.637 -12.977 1.00 0.00 C +ATOM 21 N UNL A 1 28.179 23.241 -14.315 1.00 0.00 N +ATOM 22 C UNL A 1 29.468 21.082 -14.439 1.00 0.00 C +ATOM 23 C UNL A 1 28.240 21.889 -14.853 1.00 0.00 C +ATOM 24 H UNL A 1 27.330 23.694 -14.653 1.00 0.00 H +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 16 16 15 8 +CONECT 15 17 17 14 +CONECT 16 18 14 14 +CONECT 17 19 18 15 15 +CONECT 18 20 17 16 +CONECT 19 21 17 +CONECT 20 22 22 18 +CONECT 21 23 24 19 +CONECT 22 23 20 20 +CONECT 23 22 21 +CONECT 24 21 +MASTER 0 0 0 0 0 0 0 0 24 0 24 0 +END diff --git a/s650392_cmpx.pdb b/s650392_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..4e4804c85e09cb47df133a0029810aae476bbd1c --- /dev/null +++ b/s650392_cmpx.pdb @@ -0,0 +1,1610 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.9 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(C3(c4cccnc4)CC3)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 18 9 19 10 20 11 21 12 9 14 +REMARK SMILES IDX 16 15 17 16 10 17 11 18 15 19 12 20 14 21 13 22 +REMARK H PARENT 21 13 +COMPND /tmp/tmp_n6c_spr/65553908_s650392_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.747 16.132 -7.725 1.00 0.00 O +ATOM 2 C UNL A 1 22.818 16.741 -7.653 1.00 0.00 C +ATOM 3 C UNL A 1 22.990 17.942 -6.701 1.00 0.00 C +ATOM 4 O UNL A 1 24.272 18.371 -6.258 1.00 0.00 O +ATOM 5 C UNL A 1 24.951 18.974 -7.280 1.00 0.00 C +ATOM 6 C UNL A 1 25.214 20.337 -7.204 1.00 0.00 C +ATOM 7 C UNL A 1 25.904 20.960 -8.244 1.00 0.00 C +ATOM 8 C UNL A 1 26.348 20.234 -9.365 1.00 0.00 C +ATOM 9 C UNL A 1 26.095 18.849 -9.388 1.00 0.00 C +ATOM 10 C UNL A 1 25.419 18.209 -8.346 1.00 0.00 C +ATOM 11 C UNL A 1 25.212 16.729 -8.340 1.00 0.00 C +ATOM 12 N UNL A 1 23.822 16.382 -8.502 1.00 0.00 N +ATOM 13 H UNL A 1 23.602 15.560 -9.049 1.00 0.00 H +ATOM 14 C UNL A 1 27.162 20.894 -10.475 1.00 0.00 C +ATOM 15 C UNL A 1 26.786 22.308 -10.897 1.00 0.00 C +ATOM 16 C UNL A 1 26.462 21.165 -11.804 1.00 0.00 C +ATOM 17 C UNL A 1 28.621 20.460 -10.504 1.00 0.00 C +ATOM 18 C UNL A 1 29.400 20.512 -11.665 1.00 0.00 C +ATOM 19 C UNL A 1 29.300 20.098 -9.336 1.00 0.00 C +ATOM 20 C UNL A 1 30.769 20.257 -11.614 1.00 0.00 C +ATOM 21 N UNL A 1 30.627 19.839 -9.248 1.00 0.00 N +ATOM 22 C UNL A 1 31.333 19.943 -10.391 1.00 0.00 C +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 16 15 17 8 +CONECT 15 16 14 +CONECT 16 15 14 +CONECT 17 18 18 14 19 +CONECT 18 20 17 17 +CONECT 19 17 21 21 +CONECT 20 18 22 22 +CONECT 21 22 19 19 +CONECT 22 20 20 21 +MASTER 0 0 0 0 0 0 0 0 22 0 22 0 +END diff --git a/s653809_cmpx.pdb b/s653809_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..68579fcdaf8e01a8dbb163a5acb3ecdd51ff0c45 --- /dev/null +++ b/s653809_cmpx.pdb @@ -0,0 +1,1610 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.6 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(C(F)(F)c3cncnc3)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 18 9 19 10 20 11 21 12 9 14 +REMARK SMILES IDX 10 15 11 16 12 17 13 18 17 19 14 20 16 21 15 22 +REMARK H PARENT 21 13 +COMPND /tmp/tmpahq3ci1v/65557929_s653809_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.807 16.088 -7.695 1.00 0.00 O +ATOM 2 C UNL A 1 22.835 16.771 -7.725 1.00 0.00 C +ATOM 3 C UNL A 1 23.015 17.989 -6.801 1.00 0.00 C +ATOM 4 O UNL A 1 24.304 18.417 -6.389 1.00 0.00 O +ATOM 5 C UNL A 1 24.971 19.030 -7.414 1.00 0.00 C +ATOM 6 C UNL A 1 25.256 20.389 -7.306 1.00 0.00 C +ATOM 7 C UNL A 1 25.981 21.026 -8.315 1.00 0.00 C +ATOM 8 C UNL A 1 26.449 20.301 -9.425 1.00 0.00 C +ATOM 9 C UNL A 1 26.164 18.925 -9.503 1.00 0.00 C +ATOM 10 C UNL A 1 25.431 18.280 -8.499 1.00 0.00 C +ATOM 11 C UNL A 1 25.174 16.806 -8.542 1.00 0.00 C +ATOM 12 N UNL A 1 23.773 16.495 -8.677 1.00 0.00 N +ATOM 13 H UNL A 1 23.535 15.667 -9.210 1.00 0.00 H +ATOM 14 C UNL A 1 27.274 20.974 -10.518 1.00 0.00 C +ATOM 15 F UNL A 1 26.761 20.684 -11.756 1.00 0.00 F +ATOM 16 F UNL A 1 27.147 22.338 -10.429 1.00 0.00 F +ATOM 17 C UNL A 1 28.719 20.581 -10.440 1.00 0.00 C +ATOM 18 C UNL A 1 29.563 20.641 -11.528 1.00 0.00 C +ATOM 19 C UNL A 1 29.303 20.133 -9.273 1.00 0.00 C +ATOM 20 N UNL A 1 30.862 20.277 -11.490 1.00 0.00 N +ATOM 21 N UNL A 1 30.594 19.755 -9.175 1.00 0.00 N +ATOM 22 C UNL A 1 31.314 19.847 -10.303 1.00 0.00 C +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 15 17 16 8 +CONECT 15 14 +CONECT 16 14 +CONECT 17 18 18 14 19 +CONECT 18 20 17 17 +CONECT 19 17 21 21 +CONECT 20 18 22 22 +CONECT 21 22 19 19 +CONECT 22 20 20 21 +MASTER 0 0 0 0 0 0 0 0 22 0 22 0 +END diff --git a/s674545_cmpx.pdb b/s674545_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..23658dd3b3ed8b902c1355e5b926e3d3039b9f5e --- /dev/null +++ b/s674545_cmpx.pdb @@ -0,0 +1,1614 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.9 0.000 0.000 +REMARK CORE C12=CC=CC=C1NCCO2 +REMARK SMILES C[C@@H](c1ccc2[nH]c(=O)[nH]c2c1)N1CCOc2ccccc21 +REMARK SMILES IDX 3 1 4 2 5 3 6 4 7 5 8 6 9 7 10 8 11 9 12 10 2 13 1 14 13 15 +REMARK SMILES IDX 14 16 22 17 15 18 17 19 21 20 16 21 18 22 20 23 19 24 +REMARK H PARENT 7 11 10 12 +COMPND /tmp/tmpd9q5_c36/65580445_s674545_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 C UNL A 1 25.831 19.643 -7.657 1.00 0.00 C +ATOM 2 C UNL A 1 26.415 18.568 -8.393 1.00 0.00 C +ATOM 3 C UNL A 1 25.722 17.378 -8.653 1.00 0.00 C +ATOM 4 C UNL A 1 24.442 17.296 -8.166 1.00 0.00 C +ATOM 5 N UNL A 1 23.521 16.259 -8.256 1.00 0.00 N +ATOM 6 C UNL A 1 22.344 16.642 -7.592 1.00 0.00 C +ATOM 7 O UNL A 1 21.330 15.982 -7.473 1.00 0.00 O +ATOM 8 N UNL A 1 22.572 17.934 -7.092 1.00 0.00 N +ATOM 9 C UNL A 1 23.856 18.333 -7.444 1.00 0.00 C +ATOM 10 C UNL A 1 24.518 19.506 -7.166 1.00 0.00 C +ATOM 11 H UNL A 1 23.641 15.370 -8.710 1.00 0.00 H +ATOM 12 H UNL A 1 21.894 18.462 -6.568 1.00 0.00 H +ATOM 13 C UNL A 1 26.693 20.864 -7.341 1.00 0.00 C +ATOM 14 C UNL A 1 25.809 22.027 -6.902 1.00 0.00 C +ATOM 15 N UNL A 1 27.716 21.160 -8.369 1.00 0.00 N +ATOM 16 C UNL A 1 29.121 20.999 -7.955 1.00 0.00 C +ATOM 17 C UNL A 1 27.567 21.221 -9.755 1.00 0.00 C +ATOM 18 C UNL A 1 29.817 19.952 -8.813 1.00 0.00 C +ATOM 19 C UNL A 1 28.611 20.808 -10.624 1.00 0.00 C +ATOM 20 C UNL A 1 26.427 21.737 -10.385 1.00 0.00 C +ATOM 21 O UNL A 1 29.826 20.319 -10.193 1.00 0.00 O +ATOM 22 C UNL A 1 28.494 20.881 -12.018 1.00 0.00 C +ATOM 23 C UNL A 1 26.299 21.803 -11.780 1.00 0.00 C +ATOM 24 C UNL A 1 27.330 21.368 -12.599 1.00 0.00 C +CONECT 1 2 2 13 10 +CONECT 2 3 1 1 +CONECT 3 2 4 4 +CONECT 4 3 3 5 9 +CONECT 5 11 4 6 +CONECT 6 5 7 7 8 +CONECT 7 6 6 +CONECT 8 6 9 12 +CONECT 9 4 10 10 8 +CONECT 10 1 9 9 +CONECT 11 5 +CONECT 12 8 +CONECT 13 15 1 14 +CONECT 14 13 +CONECT 15 17 16 13 +CONECT 16 18 15 +CONECT 17 19 19 20 15 +CONECT 18 21 16 +CONECT 19 22 21 17 17 +CONECT 20 23 23 17 +CONECT 21 19 18 +CONECT 22 24 24 19 +CONECT 23 24 20 20 +CONECT 24 22 22 23 +MASTER 0 0 0 0 0 0 0 0 24 0 24 0 +END diff --git a/s674558_cmpx.pdb b/s674558_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..4050cd35be000fc17d59d5186677ef0f18daefa7 --- /dev/null +++ b/s674558_cmpx.pdb @@ -0,0 +1,1616 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.5 0.000 0.000 +REMARK CORE N12CCCNCC1=CC=N2 +REMARK SMILES C[C@@H](c1ccc2[nH]c(=O)[nH]c2c1)c1cnn2c1CNCCC2 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 12 5 5 6 11 7 6 8 10 9 7 10 8 11 9 14 13 15 +REMARK SMILES IDX 14 16 17 17 15 18 16 19 18 20 22 21 19 22 21 23 20 24 +REMARK H PARENT 10 12 7 13 19 25 +COMPND /tmp/tmpryr1hxp7/58851293_s674558_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 C UNL A 1 26.731 21.854 -9.011 1.00 0.00 C +ATOM 2 C UNL A 1 26.280 21.332 -7.643 1.00 0.00 C +ATOM 3 C UNL A 1 25.717 19.919 -7.797 1.00 0.00 C +ATOM 4 C UNL A 1 26.315 18.915 -8.613 1.00 0.00 C +ATOM 5 C UNL A 1 24.462 19.656 -7.199 1.00 0.00 C +ATOM 6 C UNL A 1 25.688 17.680 -8.845 1.00 0.00 C +ATOM 7 C UNL A 1 23.863 18.443 -7.458 1.00 0.00 C +ATOM 8 C UNL A 1 24.458 17.482 -8.267 1.00 0.00 C +ATOM 9 N UNL A 1 22.627 17.958 -7.051 1.00 0.00 N +ATOM 10 N UNL A 1 23.583 16.405 -8.365 1.00 0.00 N +ATOM 11 C UNL A 1 22.428 16.694 -7.616 1.00 0.00 C +ATOM 12 H UNL A 1 21.943 18.425 -6.473 1.00 0.00 H +ATOM 13 H UNL A 1 23.702 15.562 -8.904 1.00 0.00 H +ATOM 14 O UNL A 1 21.445 15.983 -7.494 1.00 0.00 O +ATOM 15 C UNL A 1 27.358 21.362 -6.592 1.00 0.00 C +ATOM 16 C UNL A 1 27.423 20.584 -5.407 1.00 0.00 C +ATOM 17 C UNL A 1 28.559 22.064 -6.585 1.00 0.00 C +ATOM 18 N UNL A 1 28.533 20.794 -4.702 1.00 0.00 N +ATOM 19 N UNL A 1 29.209 21.692 -5.436 1.00 0.00 N +ATOM 20 C UNL A 1 29.109 23.066 -7.537 1.00 0.00 C +ATOM 21 C UNL A 1 30.485 22.175 -4.953 1.00 0.00 C +ATOM 22 N UNL A 1 30.468 22.846 -8.020 1.00 0.00 N +ATOM 23 C UNL A 1 31.644 22.098 -5.945 1.00 0.00 C +ATOM 24 C UNL A 1 31.269 21.808 -7.395 1.00 0.00 C +ATOM 25 H UNL A 1 30.970 23.733 -8.024 1.00 0.00 H +CONECT 1 2 +CONECT 2 1 3 15 +CONECT 3 4 4 2 5 +CONECT 4 6 3 3 +CONECT 5 3 7 7 +CONECT 6 4 8 8 +CONECT 7 8 5 5 9 +CONECT 8 6 6 10 7 +CONECT 9 11 7 12 +CONECT 10 13 8 11 +CONECT 11 10 14 14 9 +CONECT 12 9 +CONECT 13 10 +CONECT 14 11 11 +CONECT 15 2 17 17 16 +CONECT 16 15 18 18 +CONECT 17 20 15 15 19 +CONECT 18 19 16 16 +CONECT 19 17 21 18 +CONECT 20 22 17 +CONECT 21 23 23 19 +CONECT 22 25 20 24 +CONECT 23 24 21 21 +CONECT 24 22 23 +CONECT 25 22 +MASTER 0 0 0 0 0 0 0 0 25 0 25 0 +END diff --git a/s688199_cmpx.pdb b/s688199_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..2c17dbd5a8057dc255ed96634f809abea4388a5a --- /dev/null +++ b/s688199_cmpx.pdb @@ -0,0 +1,1610 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.5 0.000 0.000 +REMARK CORE N12CCNCC1=CC=N2 +REMARK SMILES Oc1cc2cc(-c3cnn4c3CNCC4)cnc2[nH]1 +REMARK SMILES IDX 2 1 3 2 4 3 5 4 6 5 16 6 17 7 18 8 19 9 1 11 7 13 8 14 11 15 +REMARK SMILES IDX 9 16 10 17 12 18 15 19 13 20 14 21 +REMARK H PARENT 19 10 1 12 13 22 +COMPND /tmp/tmpnjwu1fvj/66597643_s688199_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 C UNL A 1 22.519 16.860 -7.653 1.00 0.00 C +ATOM 2 C UNL A 1 22.758 17.976 -6.882 1.00 0.00 C +ATOM 3 C UNL A 1 23.894 18.634 -7.426 1.00 0.00 C +ATOM 4 C UNL A 1 24.677 19.745 -7.069 1.00 0.00 C +ATOM 5 C UNL A 1 25.817 20.019 -7.838 1.00 0.00 C +ATOM 6 C UNL A 1 26.072 19.214 -8.948 1.00 0.00 C +ATOM 7 N UNL A 1 25.321 18.158 -9.364 1.00 0.00 N +ATOM 8 C UNL A 1 24.282 17.913 -8.548 1.00 0.00 C +ATOM 9 N UNL A 1 23.420 16.859 -8.686 1.00 0.00 N +ATOM 10 H UNL A 1 23.483 16.159 -9.404 1.00 0.00 H +ATOM 11 O UNL A 1 21.638 15.874 -7.547 1.00 0.00 O +ATOM 12 H UNL A 1 20.764 16.237 -7.783 1.00 0.00 H +ATOM 13 C UNL A 1 26.762 21.022 -7.396 1.00 0.00 C +ATOM 14 C UNL A 1 27.282 22.120 -8.123 1.00 0.00 C +ATOM 15 C UNL A 1 27.337 21.139 -6.145 1.00 0.00 C +ATOM 16 N UNL A 1 28.100 22.882 -7.396 1.00 0.00 N +ATOM 17 N UNL A 1 28.104 22.271 -6.199 1.00 0.00 N +ATOM 18 C UNL A 1 27.289 20.356 -4.888 1.00 0.00 C +ATOM 19 C UNL A 1 28.926 22.772 -5.120 1.00 0.00 C +ATOM 20 N UNL A 1 28.588 20.412 -4.208 1.00 0.00 N +ATOM 21 C UNL A 1 28.984 21.802 -3.931 1.00 0.00 C +ATOM 22 H UNL A 1 29.281 19.971 -4.814 1.00 0.00 H +CONECT 1 9 11 2 2 +CONECT 2 1 1 3 +CONECT 3 8 8 4 2 +CONECT 4 5 5 3 +CONECT 5 6 13 4 4 +CONECT 6 7 7 5 +CONECT 7 6 6 8 +CONECT 8 7 9 3 3 +CONECT 9 10 8 1 +CONECT 10 9 +CONECT 11 12 1 +CONECT 12 11 +CONECT 13 14 5 15 15 +CONECT 14 13 16 16 +CONECT 15 13 13 17 18 +CONECT 16 14 14 17 +CONECT 17 16 15 19 +CONECT 18 15 20 +CONECT 19 17 21 +CONECT 20 18 22 21 +CONECT 21 19 20 +CONECT 22 20 +MASTER 0 0 0 0 0 0 0 0 22 0 22 0 +END diff --git a/s688201_cmpx.pdb b/s688201_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..d7c5d503b92ac15ded0031421e52686c7f8772b4 --- /dev/null +++ b/s688201_cmpx.pdb @@ -0,0 +1,1612 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.8 0.000 0.000 +REMARK CORE N12CCCNCC1=CC=N2 +REMARK SMILES Oc1cc2cc(-c3cnn4c3CNCCC4)cnc2[nH]1 +REMARK SMILES IDX 2 1 3 2 4 3 5 4 6 5 17 6 18 7 19 8 20 9 1 11 7 13 8 14 11 15 +REMARK SMILES IDX 9 16 10 17 12 18 16 19 13 20 15 21 14 22 +REMARK H PARENT 20 10 1 12 13 23 +COMPND /tmp/tmpi3icf__4/66597646_s688201_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 C UNL A 1 22.337 16.737 -7.508 1.00 0.00 C +ATOM 2 C UNL A 1 22.714 17.886 -6.846 1.00 0.00 C +ATOM 3 C UNL A 1 24.047 18.188 -7.237 1.00 0.00 C +ATOM 4 C UNL A 1 24.980 19.199 -6.933 1.00 0.00 C +ATOM 5 C UNL A 1 26.206 19.180 -7.600 1.00 0.00 C +ATOM 6 C UNL A 1 26.453 18.117 -8.480 1.00 0.00 C +ATOM 7 N UNL A 1 25.611 17.095 -8.777 1.00 0.00 N +ATOM 8 C UNL A 1 24.434 17.202 -8.139 1.00 0.00 C +ATOM 9 N UNL A 1 23.391 16.331 -8.279 1.00 0.00 N +ATOM 10 H UNL A 1 23.400 15.519 -8.881 1.00 0.00 H +ATOM 11 O UNL A 1 21.210 16.036 -7.511 1.00 0.00 O +ATOM 12 H UNL A 1 21.272 15.387 -8.234 1.00 0.00 H +ATOM 13 C UNL A 1 27.218 20.210 -7.446 1.00 0.00 C +ATOM 14 C UNL A 1 28.125 20.689 -8.425 1.00 0.00 C +ATOM 15 C UNL A 1 27.448 21.023 -6.341 1.00 0.00 C +ATOM 16 N UNL A 1 28.787 21.771 -8.025 1.00 0.00 N +ATOM 17 N UNL A 1 28.254 22.030 -6.819 1.00 0.00 N +ATOM 18 C UNL A 1 26.991 21.008 -4.925 1.00 0.00 C +ATOM 19 C UNL A 1 28.457 23.342 -6.234 1.00 0.00 C +ATOM 20 N UNL A 1 26.046 22.070 -4.605 1.00 0.00 N +ATOM 21 C UNL A 1 27.161 23.986 -5.752 1.00 0.00 C +ATOM 22 C UNL A 1 26.662 23.384 -4.441 1.00 0.00 C +ATOM 23 H UNL A 1 25.595 21.824 -3.721 1.00 0.00 H +CONECT 1 9 11 2 2 +CONECT 2 1 1 3 +CONECT 3 8 8 4 2 +CONECT 4 5 5 3 +CONECT 5 6 13 4 4 +CONECT 6 7 7 5 +CONECT 7 6 6 8 +CONECT 8 7 9 3 3 +CONECT 9 10 8 1 +CONECT 10 9 +CONECT 11 12 1 +CONECT 12 11 +CONECT 13 14 5 15 15 +CONECT 14 16 13 +CONECT 15 13 13 17 18 +CONECT 16 14 17 +CONECT 17 16 15 19 +CONECT 18 15 20 +CONECT 19 17 21 +CONECT 20 18 22 23 +CONECT 21 19 22 +CONECT 22 21 20 +CONECT 23 20 +MASTER 0 0 0 0 0 0 0 0 23 0 23 0 +END diff --git a/s725799_cmpx.pdb b/s725799_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..f120cff47e0831cdca2a1265bcb7c5648c2f6c69 --- /dev/null +++ b/s725799_cmpx.pdb @@ -0,0 +1,1614 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -9.0 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(-c3ccc4c(c3)NCCC4)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 19 9 20 10 21 11 22 12 9 14 +REMARK SMILES IDX 10 15 14 16 11 17 13 18 12 19 15 20 18 21 16 22 17 23 +REMARK H PARENT 22 13 15 24 +COMPND /tmp/tmpsjq470ou/65636876_s725799_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.409 16.080 -7.484 1.00 0.00 O +ATOM 2 C UNL A 1 22.496 16.660 -7.540 1.00 0.00 C +ATOM 3 C UNL A 1 22.780 17.909 -6.686 1.00 0.00 C +ATOM 4 O UNL A 1 24.106 18.254 -6.321 1.00 0.00 O +ATOM 5 C UNL A 1 24.774 18.776 -7.396 1.00 0.00 C +ATOM 6 C UNL A 1 25.107 20.125 -7.386 1.00 0.00 C +ATOM 7 C UNL A 1 25.795 20.666 -8.476 1.00 0.00 C +ATOM 8 C UNL A 1 26.191 19.870 -9.568 1.00 0.00 C +ATOM 9 C UNL A 1 25.862 18.501 -9.527 1.00 0.00 C +ATOM 10 C UNL A 1 25.160 17.949 -8.445 1.00 0.00 C +ATOM 11 C UNL A 1 24.835 16.487 -8.390 1.00 0.00 C +ATOM 12 N UNL A 1 23.415 16.230 -8.454 1.00 0.00 N +ATOM 13 H UNL A 1 23.116 15.391 -8.931 1.00 0.00 H +ATOM 14 C UNL A 1 26.929 20.452 -10.712 1.00 0.00 C +ATOM 15 C UNL A 1 28.305 20.233 -10.898 1.00 0.00 C +ATOM 16 C UNL A 1 26.274 21.253 -11.663 1.00 0.00 C +ATOM 17 C UNL A 1 28.978 20.756 -12.008 1.00 0.00 C +ATOM 18 C UNL A 1 26.927 21.755 -12.796 1.00 0.00 C +ATOM 19 C UNL A 1 28.291 21.507 -12.971 1.00 0.00 C +ATOM 20 N UNL A 1 26.218 22.626 -13.646 1.00 0.00 N +ATOM 21 C UNL A 1 29.018 21.998 -14.192 1.00 0.00 C +ATOM 22 C UNL A 1 26.672 22.561 -15.031 1.00 0.00 C +ATOM 23 C UNL A 1 28.164 22.821 -15.157 1.00 0.00 C +ATOM 24 H UNL A 1 26.319 23.570 -13.271 1.00 0.00 H +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 16 16 15 8 +CONECT 15 17 17 14 +CONECT 16 18 14 14 +CONECT 17 19 15 15 +CONECT 18 20 19 19 16 +CONECT 19 21 18 18 17 +CONECT 20 22 24 18 +CONECT 21 23 19 +CONECT 22 23 20 +CONECT 23 22 21 +CONECT 24 20 +MASTER 0 0 0 0 0 0 0 0 24 0 24 0 +END diff --git a/s731683_cmpx.pdb b/s731683_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..897a5e9f5a33984193e202d008f98a30dbfa5e49 --- /dev/null +++ b/s731683_cmpx.pdb @@ -0,0 +1,1606 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.5 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc([C@@H]3C[C@@H]4C=C[C@H]3C4)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 16 9 17 10 18 11 19 12 9 14 +REMARK SMILES IDX 10 15 14 16 11 17 13 18 15 19 12 20 +REMARK H PARENT 19 13 +COMPND /tmp/tmp6kiei433/58883270_s731683_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.703 16.133 -7.699 1.00 0.00 O +ATOM 2 C UNL A 1 22.725 16.829 -7.701 1.00 0.00 C +ATOM 3 C UNL A 1 22.895 17.996 -6.713 1.00 0.00 C +ATOM 4 O UNL A 1 24.169 18.472 -6.325 1.00 0.00 O +ATOM 5 C UNL A 1 24.819 19.113 -7.342 1.00 0.00 C +ATOM 6 C UNL A 1 25.106 20.464 -7.188 1.00 0.00 C +ATOM 7 C UNL A 1 25.958 21.097 -8.095 1.00 0.00 C +ATOM 8 C UNL A 1 26.557 20.381 -9.147 1.00 0.00 C +ATOM 9 C UNL A 1 26.201 19.036 -9.320 1.00 0.00 C +ATOM 10 C UNL A 1 25.334 18.391 -8.419 1.00 0.00 C +ATOM 11 C UNL A 1 25.064 16.922 -8.526 1.00 0.00 C +ATOM 12 N UNL A 1 23.662 16.608 -8.664 1.00 0.00 N +ATOM 13 H UNL A 1 23.428 15.810 -9.239 1.00 0.00 H +ATOM 14 C UNL A 1 27.680 21.043 -9.919 1.00 0.00 C +ATOM 15 C UNL A 1 28.310 20.193 -11.068 1.00 0.00 C +ATOM 16 C UNL A 1 28.940 21.604 -9.192 1.00 0.00 C +ATOM 17 C UNL A 1 29.820 20.474 -10.913 1.00 0.00 C +ATOM 18 C UNL A 1 29.784 20.489 -8.616 1.00 0.00 C +ATOM 19 C UNL A 1 29.817 21.923 -10.416 1.00 0.00 C +ATOM 20 C UNL A 1 30.301 19.806 -9.647 1.00 0.00 C +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 15 16 8 +CONECT 15 17 14 +CONECT 16 19 14 18 +CONECT 17 15 19 20 +CONECT 18 20 16 +CONECT 19 17 16 +CONECT 20 17 18 +MASTER 0 0 0 0 0 0 0 0 20 0 20 0 +END diff --git a/s733821_cmpx.pdb b/s733821_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..e76ac67e7e314935bb0eb919e0c1052c51138e41 --- /dev/null +++ b/s733821_cmpx.pdb @@ -0,0 +1,1608 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.6 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(C3CCC(F)(F)CC3)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 17 9 18 10 19 11 20 12 9 14 +REMARK SMILES IDX 10 15 16 16 11 17 15 18 12 19 13 20 14 21 +REMARK H PARENT 20 13 +COMPND /tmp/tmpe7idi0o6/66623367_s733821_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.697 16.127 -7.779 1.00 0.00 O +ATOM 2 C UNL A 1 22.760 16.754 -7.716 1.00 0.00 C +ATOM 3 C UNL A 1 22.942 17.900 -6.706 1.00 0.00 C +ATOM 4 O UNL A 1 24.232 18.329 -6.305 1.00 0.00 O +ATOM 5 C UNL A 1 24.866 18.987 -7.319 1.00 0.00 C +ATOM 6 C UNL A 1 25.086 20.351 -7.192 1.00 0.00 C +ATOM 7 C UNL A 1 25.855 21.021 -8.145 1.00 0.00 C +ATOM 8 C UNL A 1 26.467 20.323 -9.196 1.00 0.00 C +ATOM 9 C UNL A 1 26.150 18.958 -9.349 1.00 0.00 C +ATOM 10 C UNL A 1 25.368 18.277 -8.406 1.00 0.00 C +ATOM 11 C UNL A 1 25.133 16.801 -8.499 1.00 0.00 C +ATOM 12 N UNL A 1 23.735 16.464 -8.622 1.00 0.00 N +ATOM 13 H UNL A 1 23.497 15.665 -9.197 1.00 0.00 H +ATOM 14 C UNL A 1 27.498 20.950 -10.136 1.00 0.00 C +ATOM 15 C UNL A 1 27.594 22.480 -9.908 1.00 0.00 C +ATOM 16 C UNL A 1 27.303 20.703 -11.650 1.00 0.00 C +ATOM 17 C UNL A 1 26.352 23.210 -10.419 1.00 0.00 C +ATOM 18 C UNL A 1 26.133 21.481 -12.267 1.00 0.00 C +ATOM 19 C UNL A 1 26.148 22.953 -11.900 1.00 0.00 C +ATOM 20 F UNL A 1 24.990 23.532 -12.306 1.00 0.00 F +ATOM 21 F UNL A 1 27.146 23.566 -12.592 1.00 0.00 F +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 16 15 8 +CONECT 15 17 14 +CONECT 16 18 14 +CONECT 17 19 15 +CONECT 18 19 16 +CONECT 19 21 20 18 17 +CONECT 20 19 +CONECT 21 19 +MASTER 0 0 0 0 0 0 0 0 21 0 21 0 +END diff --git a/s750362_cmpx.pdb b/s750362_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..accffa8ae553adaabc311d54a633f01ee64c6c78 --- /dev/null +++ b/s750362_cmpx.pdb @@ -0,0 +1,1608 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.5 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(C3=NN4CCC[C@@H]4C3)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 17 9 18 10 19 11 20 12 9 14 +REMARK SMILES IDX 10 15 16 16 11 17 15 18 12 19 14 20 13 21 +REMARK H PARENT 20 13 +COMPND /tmp/tmpcdaxowxk/58893456_s750362_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.642 16.122 -7.659 1.00 0.00 O +ATOM 2 C UNL A 1 22.709 16.737 -7.676 1.00 0.00 C +ATOM 3 C UNL A 1 22.914 18.008 -6.831 1.00 0.00 C +ATOM 4 O UNL A 1 24.209 18.411 -6.406 1.00 0.00 O +ATOM 5 C UNL A 1 24.918 18.942 -7.448 1.00 0.00 C +ATOM 6 C UNL A 1 25.240 20.296 -7.417 1.00 0.00 C +ATOM 7 C UNL A 1 25.951 20.865 -8.479 1.00 0.00 C +ATOM 8 C UNL A 1 26.338 20.073 -9.566 1.00 0.00 C +ATOM 9 C UNL A 1 26.051 18.699 -9.556 1.00 0.00 C +ATOM 10 C UNL A 1 25.352 18.121 -8.489 1.00 0.00 C +ATOM 11 C UNL A 1 25.084 16.649 -8.431 1.00 0.00 C +ATOM 12 N UNL A 1 23.681 16.327 -8.542 1.00 0.00 N +ATOM 13 H UNL A 1 23.441 15.467 -9.012 1.00 0.00 H +ATOM 14 C UNL A 1 26.976 20.658 -10.773 1.00 0.00 C +ATOM 15 N UNL A 1 26.341 21.437 -11.599 1.00 0.00 N +ATOM 16 C UNL A 1 28.418 20.386 -11.137 1.00 0.00 C +ATOM 17 N UNL A 1 27.268 21.948 -12.439 1.00 0.00 N +ATOM 18 C UNL A 1 28.631 21.479 -12.164 1.00 0.00 C +ATOM 19 C UNL A 1 27.031 21.935 -13.883 1.00 0.00 C +ATOM 20 C UNL A 1 29.210 21.079 -13.509 1.00 0.00 C +ATOM 21 C UNL A 1 28.433 21.964 -14.471 1.00 0.00 C +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 15 16 8 +CONECT 15 17 14 +CONECT 16 18 14 +CONECT 17 19 18 15 +CONECT 18 20 17 16 +CONECT 19 21 17 +CONECT 20 21 18 +CONECT 21 19 20 +MASTER 0 0 0 0 0 0 0 0 21 0 21 0 +END diff --git a/s766674_cmpx.pdb b/s766674_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..89a0f0c134560b8707af9b6f001dfa7f9e7b22f6 --- /dev/null +++ b/s766674_cmpx.pdb @@ -0,0 +1,1610 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.6 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(N3Cc4cccnc4C3)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 18 9 19 10 20 11 21 12 9 14 +REMARK SMILES IDX 10 15 17 16 11 17 16 18 12 19 15 20 13 21 14 22 +REMARK H PARENT 21 13 +COMPND /tmp/tmpt694z46j/65680957_s766674_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.736 16.119 -7.708 1.00 0.00 O +ATOM 2 C UNL A 1 22.796 16.755 -7.710 1.00 0.00 C +ATOM 3 C UNL A 1 22.956 18.045 -6.882 1.00 0.00 C +ATOM 4 O UNL A 1 24.226 18.459 -6.388 1.00 0.00 O +ATOM 5 C UNL A 1 24.985 18.985 -7.396 1.00 0.00 C +ATOM 6 C UNL A 1 25.342 20.330 -7.349 1.00 0.00 C +ATOM 7 C UNL A 1 26.076 20.896 -8.402 1.00 0.00 C +ATOM 8 C UNL A 1 26.428 20.132 -9.517 1.00 0.00 C +ATOM 9 C UNL A 1 26.122 18.758 -9.486 1.00 0.00 C +ATOM 10 C UNL A 1 25.425 18.172 -8.430 1.00 0.00 C +ATOM 11 C UNL A 1 25.185 16.695 -8.388 1.00 0.00 C +ATOM 12 N UNL A 1 23.795 16.351 -8.545 1.00 0.00 N +ATOM 13 H UNL A 1 23.582 15.476 -9.006 1.00 0.00 H +ATOM 14 N UNL A 1 27.035 20.655 -10.624 1.00 0.00 N +ATOM 15 C UNL A 1 28.456 20.591 -10.980 1.00 0.00 C +ATOM 16 C UNL A 1 26.297 21.567 -11.513 1.00 0.00 C +ATOM 17 C UNL A 1 28.431 21.054 -12.409 1.00 0.00 C +ATOM 18 C UNL A 1 27.196 21.622 -12.716 1.00 0.00 C +ATOM 19 C UNL A 1 29.378 20.954 -13.409 1.00 0.00 C +ATOM 20 N UNL A 1 26.823 22.081 -13.925 1.00 0.00 N +ATOM 21 C UNL A 1 29.027 21.407 -14.684 1.00 0.00 C +ATOM 22 C UNL A 1 27.758 21.950 -14.890 1.00 0.00 C +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 16 15 8 +CONECT 15 17 14 +CONECT 16 18 14 +CONECT 17 19 19 18 15 +CONECT 18 20 20 17 16 +CONECT 19 21 17 17 +CONECT 20 22 18 18 +CONECT 21 22 22 19 +CONECT 22 21 21 20 +MASTER 0 0 0 0 0 0 0 0 22 0 22 0 +END diff --git a/s780460_cmpx.pdb b/s780460_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..f110524540ccaa6174ce96c312b5d1690abcd797 --- /dev/null +++ b/s780460_cmpx.pdb @@ -0,0 +1,1608 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.5 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc([C@@H]3CCCNCC3)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 16 9 17 10 18 11 19 12 9 14 +REMARK SMILES IDX 10 15 15 16 11 17 14 18 12 19 13 20 +REMARK H PARENT 19 13 13 21 +COMPND /tmp/tmpm1ovnoip/66648084_s780460_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.707 16.072 -7.695 1.00 0.00 O +ATOM 2 C UNL A 1 22.727 16.762 -7.717 1.00 0.00 C +ATOM 3 C UNL A 1 22.892 17.985 -6.799 1.00 0.00 C +ATOM 4 O UNL A 1 24.177 18.389 -6.349 1.00 0.00 O +ATOM 5 C UNL A 1 24.867 19.016 -7.350 1.00 0.00 C +ATOM 6 C UNL A 1 25.160 20.370 -7.214 1.00 0.00 C +ATOM 7 C UNL A 1 25.878 21.025 -8.211 1.00 0.00 C +ATOM 8 C UNL A 1 26.331 20.329 -9.345 1.00 0.00 C +ATOM 9 C UNL A 1 26.050 18.955 -9.447 1.00 0.00 C +ATOM 10 C UNL A 1 25.327 18.289 -8.448 1.00 0.00 C +ATOM 11 C UNL A 1 25.077 16.814 -8.517 1.00 0.00 C +ATOM 12 N UNL A 1 23.680 16.484 -8.656 1.00 0.00 N +ATOM 13 H UNL A 1 23.458 15.648 -9.181 1.00 0.00 H +ATOM 14 C UNL A 1 27.089 21.026 -10.470 1.00 0.00 C +ATOM 15 C UNL A 1 26.224 21.103 -11.743 1.00 0.00 C +ATOM 16 C UNL A 1 28.421 20.297 -10.723 1.00 0.00 C +ATOM 17 C UNL A 1 26.787 21.971 -12.869 1.00 0.00 C +ATOM 18 C UNL A 1 29.530 21.194 -11.272 1.00 0.00 C +ATOM 19 C UNL A 1 28.212 21.630 -13.307 1.00 0.00 C +ATOM 20 N UNL A 1 29.207 22.108 -12.359 1.00 0.00 N +ATOM 21 H UNL A 1 28.931 23.016 -11.988 1.00 0.00 H +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 15 16 8 +CONECT 15 17 14 +CONECT 16 18 14 +CONECT 17 19 15 +CONECT 18 20 16 +CONECT 19 17 20 +CONECT 20 19 21 18 +CONECT 21 20 +MASTER 0 0 0 0 0 0 0 0 21 0 21 0 +END diff --git a/s791542_cmpx.pdb b/s791542_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..136aa889fefcc4fb34e8e1c06bbc6870ce770e99 --- /dev/null +++ b/s791542_cmpx.pdb @@ -0,0 +1,1612 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -9.2 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc([C@@H]3Cc4ccc(F)cc4C3)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 19 9 20 10 21 11 22 12 9 14 +REMARK SMILES IDX 10 15 18 16 11 17 17 18 12 19 16 20 13 21 14 22 15 23 +REMARK H PARENT 22 13 +COMPND /tmp/tmpli7i41fk/66653588_s791542_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.672 16.137 -7.764 1.00 0.00 O +ATOM 2 C UNL A 1 22.740 16.755 -7.724 1.00 0.00 C +ATOM 3 C UNL A 1 22.943 17.935 -6.753 1.00 0.00 C +ATOM 4 O UNL A 1 24.237 18.332 -6.319 1.00 0.00 O +ATOM 5 C UNL A 1 24.905 18.969 -7.329 1.00 0.00 C +ATOM 6 C UNL A 1 25.184 20.329 -7.203 1.00 0.00 C +ATOM 7 C UNL A 1 25.847 21.003 -8.235 1.00 0.00 C +ATOM 8 C UNL A 1 26.242 20.313 -9.385 1.00 0.00 C +ATOM 9 C UNL A 1 25.984 18.930 -9.467 1.00 0.00 C +ATOM 10 C UNL A 1 25.331 18.247 -8.439 1.00 0.00 C +ATOM 11 C UNL A 1 25.105 16.770 -8.501 1.00 0.00 C +ATOM 12 N UNL A 1 23.710 16.431 -8.626 1.00 0.00 N +ATOM 13 H UNL A 1 23.472 15.617 -9.179 1.00 0.00 H +ATOM 14 C UNL A 1 26.915 20.957 -10.573 1.00 0.00 C +ATOM 15 C UNL A 1 26.116 21.259 -11.863 1.00 0.00 C +ATOM 16 C UNL A 1 28.144 20.148 -11.054 1.00 0.00 C +ATOM 17 C UNL A 1 27.260 21.490 -12.815 1.00 0.00 C +ATOM 18 C UNL A 1 28.417 20.843 -12.350 1.00 0.00 C +ATOM 19 C UNL A 1 27.280 22.231 -13.984 1.00 0.00 C +ATOM 20 C UNL A 1 29.612 20.915 -13.043 1.00 0.00 C +ATOM 21 C UNL A 1 28.490 22.332 -14.678 1.00 0.00 C +ATOM 22 C UNL A 1 29.636 21.678 -14.205 1.00 0.00 C +ATOM 23 F UNL A 1 30.786 21.803 -14.881 1.00 0.00 F +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 15 16 8 +CONECT 15 17 14 +CONECT 16 18 14 +CONECT 17 19 19 18 15 +CONECT 18 20 20 17 16 +CONECT 19 21 17 17 +CONECT 20 22 18 18 +CONECT 21 22 22 19 +CONECT 22 23 21 21 20 +CONECT 23 22 +MASTER 0 0 0 0 0 0 0 0 23 0 23 0 +END diff --git a/s797390_cmpx.pdb b/s797390_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..171f39da603168ed87ba1e7374ee808573f4832c --- /dev/null +++ b/s797390_cmpx.pdb @@ -0,0 +1,1604 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.5 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=c1ccc(N2CCOc3ccccc3C2)c[nH]1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 17 6 18 7 6 9 7 10 16 11 8 12 15 13 9 14 +REMARK SMILES IDX 10 15 14 16 11 17 13 18 12 19 +REMARK H PARENT 18 8 +COMPND /tmp/tmpnt9hu4yj/65713170_s797390_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.679 15.979 -7.784 1.00 0.00 O +ATOM 2 C UNL A 1 22.693 16.660 -7.710 1.00 0.00 C +ATOM 3 C UNL A 1 22.734 17.899 -6.902 1.00 0.00 C +ATOM 4 C UNL A 1 23.867 18.616 -6.843 1.00 0.00 C +ATOM 5 C UNL A 1 25.086 18.219 -7.544 1.00 0.00 C +ATOM 6 C UNL A 1 25.005 17.098 -8.291 1.00 0.00 C +ATOM 7 N UNL A 1 23.855 16.349 -8.367 1.00 0.00 N +ATOM 8 H UNL A 1 23.831 15.508 -8.928 1.00 0.00 H +ATOM 9 N UNL A 1 26.221 19.035 -7.444 1.00 0.00 N +ATOM 10 C UNL A 1 26.426 19.989 -6.333 1.00 0.00 C +ATOM 11 C UNL A 1 27.208 19.193 -8.530 1.00 0.00 C +ATOM 12 C UNL A 1 26.152 21.440 -6.740 1.00 0.00 C +ATOM 13 C UNL A 1 26.858 20.358 -9.422 1.00 0.00 C +ATOM 14 O UNL A 1 27.158 21.953 -7.626 1.00 0.00 O +ATOM 15 C UNL A 1 26.851 21.669 -8.931 1.00 0.00 C +ATOM 16 C UNL A 1 26.572 20.153 -10.782 1.00 0.00 C +ATOM 17 C UNL A 1 26.587 22.752 -9.772 1.00 0.00 C +ATOM 18 C UNL A 1 26.291 21.233 -11.622 1.00 0.00 C +ATOM 19 C UNL A 1 26.296 22.532 -11.116 1.00 0.00 C +CONECT 1 2 2 +CONECT 2 7 1 1 3 +CONECT 3 2 4 4 +CONECT 4 5 3 3 +CONECT 5 6 6 9 4 +CONECT 6 7 5 5 +CONECT 7 8 6 2 +CONECT 8 7 +CONECT 9 11 5 10 +CONECT 10 9 12 +CONECT 11 13 9 +CONECT 12 14 10 +CONECT 13 16 16 15 11 +CONECT 14 15 12 +CONECT 15 17 17 13 14 +CONECT 16 18 13 13 +CONECT 17 19 15 15 +CONECT 18 19 19 16 +CONECT 19 18 18 17 +MASTER 0 0 0 0 0 0 0 0 19 0 19 0 +END diff --git a/s810011_cmpx.pdb b/s810011_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..d9d7f233a5c5abf744d4cce5d439a00401ceaa07 --- /dev/null +++ b/s810011_cmpx.pdb @@ -0,0 +1,1614 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.5 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(N3CCc4c(O)cccc43)cc2CN1 +REMARK SMILES IDX 9 1 10 2 11 3 12 4 13 5 15 6 16 7 17 8 18 9 8 10 2 11 3 12 +REMARK SMILES IDX 22 13 4 14 21 15 5 16 20 17 6 18 19 19 7 20 1 21 14 23 +REMARK H PARENT 22 22 14 24 +COMPND /tmp/tmpvnek5qvj/66663506_s810011_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 N UNL A 1 27.270 21.092 -10.007 1.00 0.00 N +ATOM 2 C UNL A 1 27.030 21.009 -11.481 1.00 0.00 C +ATOM 3 C UNL A 1 28.333 21.398 -12.162 1.00 0.00 C +ATOM 4 C UNL A 1 29.269 20.756 -11.197 1.00 0.00 C +ATOM 5 C UNL A 1 30.544 20.262 -11.381 1.00 0.00 C +ATOM 6 C UNL A 1 31.260 19.842 -10.270 1.00 0.00 C +ATOM 7 C UNL A 1 30.691 19.916 -8.985 1.00 0.00 C +ATOM 8 C UNL A 1 29.366 20.340 -8.816 1.00 0.00 C +ATOM 9 C UNL A 1 28.647 20.712 -9.939 1.00 0.00 C +ATOM 10 C UNL A 1 26.212 20.517 -9.266 1.00 0.00 C +ATOM 11 C UNL A 1 22.623 16.790 -7.650 1.00 0.00 C +ATOM 12 C UNL A 1 22.930 17.880 -6.617 1.00 0.00 C +ATOM 13 N UNL A 1 23.409 16.646 -8.754 1.00 0.00 N +ATOM 14 O UNL A 1 24.264 18.286 -6.393 1.00 0.00 O +ATOM 15 C UNL A 1 24.806 16.997 -8.868 1.00 0.00 C +ATOM 16 C UNL A 1 24.726 19.048 -7.427 1.00 0.00 C +ATOM 17 C UNL A 1 25.086 18.448 -8.637 1.00 0.00 C +ATOM 18 C UNL A 1 24.979 20.391 -7.182 1.00 0.00 C +ATOM 19 C UNL A 1 25.840 19.197 -9.552 1.00 0.00 C +ATOM 20 C UNL A 1 25.682 21.135 -8.121 1.00 0.00 C +ATOM 21 O UNL A 1 21.611 16.092 -7.552 1.00 0.00 O +ATOM 22 H UNL A 1 23.091 15.873 -9.331 1.00 0.00 H +ATOM 23 O UNL A 1 31.089 20.118 -12.615 1.00 0.00 O +ATOM 24 H UNL A 1 31.700 19.362 -12.587 1.00 0.00 H +CONECT 1 2 9 10 +CONECT 2 3 1 +CONECT 3 2 4 +CONECT 4 3 5 5 9 +CONECT 5 23 4 4 6 +CONECT 6 5 7 7 +CONECT 7 6 6 8 +CONECT 8 9 9 7 +CONECT 9 4 1 8 8 +CONECT 10 1 19 19 20 +CONECT 11 13 21 21 12 +CONECT 12 11 14 +CONECT 13 22 15 11 +CONECT 14 16 12 +CONECT 15 13 17 +CONECT 16 17 17 18 14 +CONECT 17 19 15 16 16 +CONECT 18 20 20 16 +CONECT 19 10 10 17 +CONECT 20 10 18 18 +CONECT 21 11 11 +CONECT 22 13 +CONECT 23 24 5 +CONECT 24 23 +MASTER 0 0 0 0 0 0 0 0 24 0 24 0 +END diff --git a/s815806_cmpx.pdb b/s815806_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..6c22f2038b86111146b26383f9e26c310f9e3b23 --- /dev/null +++ b/s815806_cmpx.pdb @@ -0,0 +1,1614 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.8 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES CC(C)(c1ccc(O)cc1)c1ccc2c(c1)CNC(=O)CO2 +REMARK SMILES IDX 4 1 5 2 6 3 7 4 9 5 10 6 2 7 1 8 3 9 11 10 12 11 16 12 13 13 +REMARK SMILES IDX 15 14 14 15 17 16 22 17 18 18 21 19 19 20 20 22 8 23 +REMARK H PARENT 18 21 8 24 +COMPND /tmp/tmp6dvg099b/58927923_s815806_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 C UNL A 1 24.852 18.696 -7.505 1.00 0.00 C +ATOM 2 C UNL A 1 23.597 18.868 -6.882 1.00 0.00 C +ATOM 3 C UNL A 1 22.587 17.902 -6.986 1.00 0.00 C +ATOM 4 C UNL A 1 22.819 16.742 -7.712 1.00 0.00 C +ATOM 5 C UNL A 1 24.035 16.544 -8.345 1.00 0.00 C +ATOM 6 C UNL A 1 25.035 17.515 -8.254 1.00 0.00 C +ATOM 7 C UNL A 1 25.973 19.764 -7.353 1.00 0.00 C +ATOM 8 C UNL A 1 25.319 21.131 -7.018 1.00 0.00 C +ATOM 9 C UNL A 1 26.884 19.417 -6.135 1.00 0.00 C +ATOM 10 C UNL A 1 26.890 19.919 -8.599 1.00 0.00 C +ATOM 11 C UNL A 1 26.319 20.014 -9.882 1.00 0.00 C +ATOM 12 C UNL A 1 28.291 20.040 -8.522 1.00 0.00 C +ATOM 13 C UNL A 1 27.086 20.347 -11.000 1.00 0.00 C +ATOM 14 C UNL A 1 29.093 20.314 -9.657 1.00 0.00 C +ATOM 15 C UNL A 1 28.462 20.524 -10.888 1.00 0.00 C +ATOM 16 C UNL A 1 30.584 20.457 -9.465 1.00 0.00 C +ATOM 17 O UNL A 1 29.065 21.066 -11.990 1.00 0.00 O +ATOM 18 N UNL A 1 31.325 19.737 -10.475 1.00 0.00 N +ATOM 19 C UNL A 1 30.171 20.354 -12.521 1.00 0.00 C +ATOM 20 C UNL A 1 31.433 20.422 -11.672 1.00 0.00 C +ATOM 21 H UNL A 1 30.918 18.817 -10.595 1.00 0.00 H +ATOM 22 O UNL A 1 32.447 21.034 -11.998 1.00 0.00 O +ATOM 23 O UNL A 1 21.875 15.771 -7.832 1.00 0.00 O +ATOM 24 H UNL A 1 21.056 16.170 -8.167 1.00 0.00 H +CONECT 1 6 6 7 2 +CONECT 2 1 3 3 +CONECT 3 4 2 2 +CONECT 4 5 5 23 3 +CONECT 5 6 4 4 +CONECT 6 5 1 1 +CONECT 7 10 1 8 9 +CONECT 8 7 +CONECT 9 7 +CONECT 10 11 11 12 7 +CONECT 11 13 10 10 +CONECT 12 14 14 10 +CONECT 13 15 15 11 +CONECT 14 15 16 12 12 +CONECT 15 17 13 13 14 +CONECT 16 18 14 +CONECT 17 19 15 +CONECT 18 20 21 16 +CONECT 19 17 20 +CONECT 20 19 22 22 18 +CONECT 21 18 +CONECT 22 20 20 +CONECT 23 24 4 +CONECT 24 23 +MASTER 0 0 0 0 0 0 0 0 24 0 24 0 +END diff --git a/s842133_cmpx.pdb b/s842133_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..5a89ae4fcb818677060ebb1bad1a9b8c64ceb0d0 --- /dev/null +++ b/s842133_cmpx.pdb @@ -0,0 +1,1610 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.5 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C(c1ccc(=O)[nH]c1)c1ccc2c(c1)CNCCO2 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 9 5 5 6 8 7 6 8 7 10 10 11 11 12 15 13 12 14 +REMARK SMILES IDX 14 15 13 16 16 17 20 18 17 19 19 20 18 21 +REMARK H PARENT 8 9 17 22 +COMPND /tmp/tmp3bltcbs3/58942179_s842133_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 26.938 19.066 -6.425 1.00 0.00 O +ATOM 2 C UNL A 1 26.367 18.885 -7.489 1.00 0.00 C +ATOM 3 C UNL A 1 25.058 18.156 -7.567 1.00 0.00 C +ATOM 4 C UNL A 1 23.866 18.596 -6.859 1.00 0.00 C +ATOM 5 C UNL A 1 25.000 17.009 -8.266 1.00 0.00 C +ATOM 6 C UNL A 1 22.721 17.913 -6.917 1.00 0.00 C +ATOM 7 N UNL A 1 23.829 16.286 -8.327 1.00 0.00 N +ATOM 8 C UNL A 1 22.667 16.651 -7.694 1.00 0.00 C +ATOM 9 H UNL A 1 23.795 15.411 -8.834 1.00 0.00 H +ATOM 10 O UNL A 1 21.634 15.989 -7.746 1.00 0.00 O +ATOM 11 C UNL A 1 26.943 19.456 -8.748 1.00 0.00 C +ATOM 12 C UNL A 1 26.140 19.772 -9.849 1.00 0.00 C +ATOM 13 C UNL A 1 28.320 19.691 -8.802 1.00 0.00 C +ATOM 14 C UNL A 1 26.701 20.371 -10.975 1.00 0.00 C +ATOM 15 C UNL A 1 28.899 20.295 -9.933 1.00 0.00 C +ATOM 16 C UNL A 1 28.068 20.638 -11.007 1.00 0.00 C +ATOM 17 C UNL A 1 30.381 20.552 -9.979 1.00 0.00 C +ATOM 18 O UNL A 1 28.563 21.195 -12.155 1.00 0.00 O +ATOM 19 N UNL A 1 30.702 21.980 -10.054 1.00 0.00 N +ATOM 20 C UNL A 1 29.075 22.509 -11.909 1.00 0.00 C +ATOM 21 C UNL A 1 30.529 22.493 -11.422 1.00 0.00 C +ATOM 22 H UNL A 1 31.680 22.100 -9.789 1.00 0.00 H +CONECT 1 2 2 +CONECT 2 11 3 1 1 +CONECT 3 5 5 2 4 +CONECT 4 3 6 6 +CONECT 5 7 3 3 +CONECT 6 8 4 4 +CONECT 7 9 5 8 +CONECT 8 7 10 10 6 +CONECT 9 7 +CONECT 10 8 8 +CONECT 11 12 12 13 2 +CONECT 12 14 11 11 +CONECT 13 15 15 11 +CONECT 14 16 16 12 +CONECT 15 16 17 13 13 +CONECT 16 18 14 14 15 +CONECT 17 19 15 +CONECT 18 20 16 +CONECT 19 21 17 22 +CONECT 20 18 21 +CONECT 21 20 19 +CONECT 22 19 +MASTER 0 0 0 0 0 0 0 0 22 0 22 0 +END diff --git a/s844176_cmpx.pdb b/s844176_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..409c8b5c611d3d4b6d49d0c56bf49e534c03c4c9 --- /dev/null +++ b/s844176_cmpx.pdb @@ -0,0 +1,1608 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.7 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc([C@@H]3Cc4ccccc43)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 17 9 18 10 19 11 20 12 9 14 +REMARK SMILES IDX 10 15 16 16 11 17 15 18 12 19 14 20 13 21 +REMARK H PARENT 20 13 +COMPND /tmp/tmp90ivlmcv/65763756_s844176_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.633 16.010 -7.550 1.00 0.00 O +ATOM 2 C UNL A 1 22.628 16.729 -7.646 1.00 0.00 C +ATOM 3 C UNL A 1 22.824 17.952 -6.737 1.00 0.00 C +ATOM 4 O UNL A 1 24.123 18.376 -6.360 1.00 0.00 O +ATOM 5 C UNL A 1 24.763 19.007 -7.388 1.00 0.00 C +ATOM 6 C UNL A 1 25.092 20.349 -7.236 1.00 0.00 C +ATOM 7 C UNL A 1 25.869 20.991 -8.206 1.00 0.00 C +ATOM 8 C UNL A 1 26.357 20.312 -9.338 1.00 0.00 C +ATOM 9 C UNL A 1 25.958 18.958 -9.468 1.00 0.00 C +ATOM 10 C UNL A 1 25.184 18.294 -8.505 1.00 0.00 C +ATOM 11 C UNL A 1 24.914 16.825 -8.620 1.00 0.00 C +ATOM 12 N UNL A 1 23.512 16.489 -8.659 1.00 0.00 N +ATOM 13 H UNL A 1 23.266 15.649 -9.167 1.00 0.00 H +ATOM 14 C UNL A 1 27.334 21.025 -10.389 1.00 0.00 C +ATOM 15 C UNL A 1 27.857 22.472 -10.050 1.00 0.00 C +ATOM 16 C UNL A 1 26.579 21.691 -11.522 1.00 0.00 C +ATOM 17 C UNL A 1 26.935 22.960 -11.130 1.00 0.00 C +ATOM 18 C UNL A 1 25.719 21.461 -12.571 1.00 0.00 C +ATOM 19 C UNL A 1 26.416 24.079 -11.733 1.00 0.00 C +ATOM 20 C UNL A 1 25.184 22.580 -13.214 1.00 0.00 C +ATOM 21 C UNL A 1 25.520 23.879 -12.789 1.00 0.00 C +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 16 15 8 +CONECT 15 17 14 +CONECT 16 18 18 17 14 +CONECT 17 19 19 16 15 +CONECT 18 20 16 16 +CONECT 19 21 17 17 +CONECT 20 21 21 18 +CONECT 21 20 20 19 +MASTER 0 0 0 0 0 0 0 0 21 0 21 0 +END diff --git a/s846806_cmpx.pdb b/s846806_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..950e4e846b2b85dad70cd50a741fc639f16e2d0b --- /dev/null +++ b/s846806_cmpx.pdb @@ -0,0 +1,1612 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.5 0.000 0.000 +REMARK CORE N12CCNCC1=CC=N2 +REMARK SMILES O=c1[nH]c(-c2ccc(-c3cnn4c3CNCC4)cc2)no1 +REMARK SMILES IDX 5 1 6 2 7 3 8 4 18 5 19 6 4 7 2 8 3 9 21 10 20 11 1 12 9 14 +REMARK SMILES IDX 10 15 13 16 11 17 12 18 14 19 17 20 15 21 16 22 +REMARK H PARENT 3 13 15 23 +COMPND /tmp/tmp06dwa070/58944703_s846806_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 C UNL A 1 25.193 18.561 -8.310 1.00 0.00 C +ATOM 2 C UNL A 1 26.226 18.991 -7.468 1.00 0.00 C +ATOM 3 C UNL A 1 27.296 19.726 -7.993 1.00 0.00 C +ATOM 4 C UNL A 1 27.336 20.034 -9.358 1.00 0.00 C +ATOM 5 C UNL A 1 26.377 19.478 -10.213 1.00 0.00 C +ATOM 6 C UNL A 1 25.300 18.765 -9.691 1.00 0.00 C +ATOM 7 C UNL A 1 23.927 18.019 -7.792 1.00 0.00 C +ATOM 8 C UNL A 1 22.261 16.677 -7.589 1.00 0.00 C +ATOM 9 N UNL A 1 23.345 16.940 -8.332 1.00 0.00 N +ATOM 10 O UNL A 1 22.170 17.619 -6.595 1.00 0.00 O +ATOM 11 N UNL A 1 23.290 18.487 -6.771 1.00 0.00 N +ATOM 12 O UNL A 1 21.490 15.749 -7.761 1.00 0.00 O +ATOM 13 H UNL A 1 23.614 16.383 -9.121 1.00 0.00 H +ATOM 14 C UNL A 1 28.240 21.058 -9.846 1.00 0.00 C +ATOM 15 C UNL A 1 28.006 22.300 -10.482 1.00 0.00 C +ATOM 16 C UNL A 1 29.609 20.879 -9.942 1.00 0.00 C +ATOM 17 N UNL A 1 29.132 22.878 -10.915 1.00 0.00 N +ATOM 18 N UNL A 1 30.086 21.992 -10.577 1.00 0.00 N +ATOM 19 C UNL A 1 30.535 19.785 -9.549 1.00 0.00 C +ATOM 20 C UNL A 1 31.448 22.144 -11.052 1.00 0.00 C +ATOM 21 N UNL A 1 31.682 19.709 -10.458 1.00 0.00 N +ATOM 22 C UNL A 1 32.350 21.016 -10.536 1.00 0.00 C +ATOM 23 H UNL A 1 31.336 19.439 -11.379 1.00 0.00 H +CONECT 1 6 6 7 2 +CONECT 2 1 3 3 +CONECT 3 4 2 2 +CONECT 4 5 5 14 3 +CONECT 5 6 4 4 +CONECT 6 5 1 1 +CONECT 7 9 1 11 11 +CONECT 8 9 12 12 10 +CONECT 9 13 7 8 +CONECT 10 8 11 +CONECT 11 7 7 10 +CONECT 12 8 8 +CONECT 13 9 +CONECT 14 15 16 16 4 +CONECT 15 17 17 14 +CONECT 16 18 14 14 19 +CONECT 17 18 15 15 +CONECT 18 20 17 16 +CONECT 19 21 16 +CONECT 20 18 22 +CONECT 21 23 22 19 +CONECT 22 20 21 +CONECT 23 21 +MASTER 0 0 0 0 0 0 0 0 23 0 23 0 +END diff --git a/s846808_cmpx.pdb b/s846808_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..a84624e5827324366cf7f4b42d30434c0c954b13 --- /dev/null +++ b/s846808_cmpx.pdb @@ -0,0 +1,1614 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.6 0.000 0.000 +REMARK CORE N12CCCNCC1=CC=N2 +REMARK SMILES O=c1[nH]c(-c2ccc(-c3cnn4c3CNCCC4)cc2)no1 +REMARK SMILES IDX 5 1 6 2 7 3 8 4 19 5 20 6 4 7 2 8 3 9 22 10 21 11 1 12 9 14 +REMARK SMILES IDX 10 15 13 16 11 17 12 18 14 19 18 20 15 21 17 22 16 23 +REMARK H PARENT 3 13 15 24 +COMPND /tmp/tmpn38uc93i/58944705_s846808_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 C UNL A 1 24.885 18.952 -8.470 1.00 0.00 C +ATOM 2 C UNL A 1 25.431 18.593 -9.711 1.00 0.00 C +ATOM 3 C UNL A 1 26.642 19.152 -10.132 1.00 0.00 C +ATOM 4 C UNL A 1 27.316 20.051 -9.303 1.00 0.00 C +ATOM 5 C UNL A 1 26.705 20.502 -8.126 1.00 0.00 C +ATOM 6 C UNL A 1 25.499 19.952 -7.708 1.00 0.00 C +ATOM 7 C UNL A 1 23.750 18.235 -7.864 1.00 0.00 C +ATOM 8 C UNL A 1 22.274 16.698 -7.598 1.00 0.00 C +ATOM 9 N UNL A 1 23.211 17.149 -8.440 1.00 0.00 N +ATOM 10 O UNL A 1 22.207 17.535 -6.518 1.00 0.00 O +ATOM 11 N UNL A 1 23.204 18.534 -6.730 1.00 0.00 N +ATOM 12 O UNL A 1 21.597 15.692 -7.767 1.00 0.00 O +ATOM 13 H UNL A 1 23.458 16.674 -9.288 1.00 0.00 H +ATOM 14 C UNL A 1 28.732 20.317 -9.448 1.00 0.00 C +ATOM 15 C UNL A 1 29.847 19.583 -8.984 1.00 0.00 C +ATOM 16 C UNL A 1 29.230 21.085 -10.493 1.00 0.00 C +ATOM 17 N UNL A 1 30.926 19.771 -9.750 1.00 0.00 N +ATOM 18 N UNL A 1 30.448 20.517 -10.767 1.00 0.00 N +ATOM 19 C UNL A 1 28.641 22.137 -11.359 1.00 0.00 C +ATOM 20 C UNL A 1 31.032 20.382 -12.091 1.00 0.00 C +ATOM 21 N UNL A 1 28.109 21.605 -12.605 1.00 0.00 N +ATOM 22 C UNL A 1 29.999 20.061 -13.178 1.00 0.00 C +ATOM 23 C UNL A 1 29.146 21.267 -13.577 1.00 0.00 C +ATOM 24 H UNL A 1 27.504 22.316 -13.017 1.00 0.00 H +CONECT 1 2 2 7 6 +CONECT 2 3 1 1 +CONECT 3 2 4 4 +CONECT 4 3 3 14 5 +CONECT 5 4 6 6 +CONECT 6 1 5 5 +CONECT 7 1 9 11 11 +CONECT 8 9 12 12 10 +CONECT 9 13 7 8 +CONECT 10 8 11 +CONECT 11 7 7 10 +CONECT 12 8 8 +CONECT 13 9 +CONECT 14 16 4 15 +CONECT 15 17 14 +CONECT 16 19 18 14 +CONECT 17 18 15 +CONECT 18 20 16 17 +CONECT 19 21 16 +CONECT 20 22 18 +CONECT 21 23 24 19 +CONECT 22 23 20 +CONECT 23 22 21 +CONECT 24 21 +MASTER 0 0 0 0 0 0 0 0 24 0 24 0 +END diff --git a/s849531_cmpx.pdb b/s849531_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..182f9f7958685e9cb0fb84b6c460bf38688e1ea4 --- /dev/null +++ b/s849531_cmpx.pdb @@ -0,0 +1,1614 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.8 0.000 0.000 +REMARK CORE N12CCCNCC1=CC=N2 +REMARK SMILES O=c1[nH]c(-c2cncc(-c3cnn4c3CNCCC4)c2)no1 +REMARK SMILES IDX 5 1 6 2 7 3 8 4 9 5 20 6 4 7 2 8 3 9 22 10 21 11 1 12 10 14 +REMARK SMILES IDX 11 15 14 16 12 17 13 18 15 19 19 20 16 21 18 22 17 23 +REMARK H PARENT 3 13 16 24 +COMPND /tmp/tmp36ib4ewu/65769529_s849531_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 C UNL A 1 24.994 18.727 -8.376 1.00 0.00 C +ATOM 2 C UNL A 1 25.226 18.631 -9.740 1.00 0.00 C +ATOM 3 N UNL A 1 26.290 19.192 -10.367 1.00 0.00 N +ATOM 4 C UNL A 1 27.182 19.859 -9.593 1.00 0.00 C +ATOM 5 C UNL A 1 27.067 19.978 -8.216 1.00 0.00 C +ATOM 6 C UNL A 1 25.933 19.416 -7.609 1.00 0.00 C +ATOM 7 C UNL A 1 23.804 18.093 -7.788 1.00 0.00 C +ATOM 8 C UNL A 1 22.206 16.671 -7.543 1.00 0.00 C +ATOM 9 N UNL A 1 23.264 16.988 -8.309 1.00 0.00 N +ATOM 10 O UNL A 1 22.105 17.605 -6.544 1.00 0.00 O +ATOM 11 N UNL A 1 23.182 18.526 -6.741 1.00 0.00 N +ATOM 12 O UNL A 1 21.468 15.716 -7.709 1.00 0.00 O +ATOM 13 H UNL A 1 23.530 16.428 -9.102 1.00 0.00 H +ATOM 14 C UNL A 1 28.071 20.575 -7.360 1.00 0.00 C +ATOM 15 C UNL A 1 29.402 20.924 -7.701 1.00 0.00 C +ATOM 16 C UNL A 1 27.891 21.106 -6.090 1.00 0.00 C +ATOM 17 N UNL A 1 29.948 21.757 -6.820 1.00 0.00 N +ATOM 18 N UNL A 1 28.946 21.980 -5.951 1.00 0.00 N +ATOM 19 C UNL A 1 26.876 20.957 -5.009 1.00 0.00 C +ATOM 20 C UNL A 1 28.924 23.234 -5.220 1.00 0.00 C +ATOM 21 N UNL A 1 25.960 22.073 -4.860 1.00 0.00 N +ATOM 22 C UNL A 1 27.575 23.944 -5.336 1.00 0.00 C +ATOM 23 C UNL A 1 26.530 23.333 -4.405 1.00 0.00 C +ATOM 24 H UNL A 1 25.388 22.190 -5.693 1.00 0.00 H +CONECT 1 2 2 7 6 +CONECT 2 3 1 1 +CONECT 3 2 4 4 +CONECT 4 3 3 5 +CONECT 5 4 6 6 14 +CONECT 6 1 5 5 +CONECT 7 1 9 11 11 +CONECT 8 9 12 12 10 +CONECT 9 13 7 8 +CONECT 10 8 11 +CONECT 11 7 7 10 +CONECT 12 8 8 +CONECT 13 9 +CONECT 14 5 15 16 +CONECT 15 14 17 +CONECT 16 14 18 19 +CONECT 17 15 18 +CONECT 18 17 16 20 +CONECT 19 16 21 +CONECT 20 18 22 +CONECT 21 24 19 23 +CONECT 22 20 23 +CONECT 23 22 21 +CONECT 24 21 +MASTER 0 0 0 0 0 0 0 0 24 0 24 0 +END diff --git a/s849692_cmpx.pdb b/s849692_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..be445570d1f2501bd2febf7181d886e7ad76798b --- /dev/null +++ b/s849692_cmpx.pdb @@ -0,0 +1,1610 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.9 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(-c3cnc4c(c3)CCC4)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 18 9 19 10 20 11 21 12 9 14 +REMARK SMILES IDX 10 15 14 16 11 17 13 18 12 19 15 20 17 21 16 22 +REMARK H PARENT 21 13 +COMPND /tmp/tmpa3a5s1hy/58946075_s849692_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.720 16.078 -7.612 1.00 0.00 O +ATOM 2 C UNL A 1 22.754 16.747 -7.676 1.00 0.00 C +ATOM 3 C UNL A 1 22.941 18.023 -6.837 1.00 0.00 C +ATOM 4 O UNL A 1 24.233 18.436 -6.413 1.00 0.00 O +ATOM 5 C UNL A 1 24.933 18.985 -7.451 1.00 0.00 C +ATOM 6 C UNL A 1 25.252 20.336 -7.401 1.00 0.00 C +ATOM 7 C UNL A 1 25.965 20.915 -8.455 1.00 0.00 C +ATOM 8 C UNL A 1 26.368 20.160 -9.572 1.00 0.00 C +ATOM 9 C UNL A 1 26.066 18.783 -9.567 1.00 0.00 C +ATOM 10 C UNL A 1 25.366 18.186 -8.506 1.00 0.00 C +ATOM 11 C UNL A 1 25.102 16.713 -8.477 1.00 0.00 C +ATOM 12 N UNL A 1 23.702 16.396 -8.597 1.00 0.00 N +ATOM 13 H UNL A 1 23.466 15.532 -9.071 1.00 0.00 H +ATOM 14 C UNL A 1 27.052 20.788 -10.724 1.00 0.00 C +ATOM 15 C UNL A 1 26.689 22.053 -11.222 1.00 0.00 C +ATOM 16 C UNL A 1 28.136 20.164 -11.360 1.00 0.00 C +ATOM 17 N UNL A 1 27.309 22.714 -12.235 1.00 0.00 N +ATOM 18 C UNL A 1 28.778 20.815 -12.401 1.00 0.00 C +ATOM 19 C UNL A 1 28.343 22.067 -12.789 1.00 0.00 C +ATOM 20 C UNL A 1 29.944 20.347 -13.197 1.00 0.00 C +ATOM 21 C UNL A 1 29.183 22.631 -13.893 1.00 0.00 C +ATOM 22 C UNL A 1 30.197 21.510 -14.171 1.00 0.00 C +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 16 16 15 8 +CONECT 15 17 17 14 +CONECT 16 18 14 14 +CONECT 17 19 15 15 +CONECT 18 20 20 19 16 +CONECT 19 21 18 17 +CONECT 20 22 18 18 +CONECT 21 22 22 19 +CONECT 22 21 21 20 +MASTER 0 0 0 0 0 0 0 0 22 0 22 0 +END diff --git a/s849972_cmpx.pdb b/s849972_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..128fbd6fdbbdb5cdc736c86eaede35e8f943a021 --- /dev/null +++ b/s849972_cmpx.pdb @@ -0,0 +1,1604 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.5 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(C3CCCCC3)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 15 9 16 10 17 11 18 12 9 14 +REMARK SMILES IDX 10 15 14 16 11 17 13 18 12 19 +REMARK H PARENT 18 13 +COMPND /tmp/tmpnwfa87k3/66685296_s849972_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.823 16.084 -7.702 1.00 0.00 O +ATOM 2 C UNL A 1 22.836 16.787 -7.733 1.00 0.00 C +ATOM 3 C UNL A 1 23.000 18.006 -6.807 1.00 0.00 C +ATOM 4 O UNL A 1 24.285 18.424 -6.369 1.00 0.00 O +ATOM 5 C UNL A 1 24.958 19.064 -7.376 1.00 0.00 C +ATOM 6 C UNL A 1 25.238 20.418 -7.235 1.00 0.00 C +ATOM 7 C UNL A 1 25.931 21.088 -8.243 1.00 0.00 C +ATOM 8 C UNL A 1 26.365 20.404 -9.392 1.00 0.00 C +ATOM 9 C UNL A 1 26.099 19.029 -9.494 1.00 0.00 C +ATOM 10 C UNL A 1 25.407 18.348 -8.487 1.00 0.00 C +ATOM 11 C UNL A 1 25.173 16.872 -8.559 1.00 0.00 C +ATOM 12 N UNL A 1 23.779 16.529 -8.688 1.00 0.00 N +ATOM 13 H UNL A 1 23.559 15.696 -9.219 1.00 0.00 H +ATOM 14 C UNL A 1 27.078 21.116 -10.529 1.00 0.00 C +ATOM 15 C UNL A 1 26.143 21.450 -11.705 1.00 0.00 C +ATOM 16 C UNL A 1 28.303 20.311 -10.997 1.00 0.00 C +ATOM 17 C UNL A 1 26.896 22.143 -12.839 1.00 0.00 C +ATOM 18 C UNL A 1 29.037 21.013 -12.137 1.00 0.00 C +ATOM 19 C UNL A 1 28.099 21.324 -13.298 1.00 0.00 C +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 15 16 8 +CONECT 15 17 14 +CONECT 16 18 14 +CONECT 17 19 15 +CONECT 18 19 16 +CONECT 19 17 18 +MASTER 0 0 0 0 0 0 0 0 19 0 19 0 +END diff --git a/s850190_cmpx.pdb b/s850190_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..ba5a6093aa0caf5177535da36cacbe955ef86c14 --- /dev/null +++ b/s850190_cmpx.pdb @@ -0,0 +1,1616 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.5 0.000 0.000 +REMARK CORE O=C1CCCN1 +REMARK SMILES O=C1C[C@@H](C(=C2C[C@H]3CC[C@@H](C2)N3)c2ccc(O)cc2)CN1 +REMARK SMILES IDX 14 1 15 2 16 3 17 4 19 5 20 6 5 7 4 8 2 9 3 10 22 11 21 12 +REMARK SMILES IDX 1 13 6 15 12 16 7 17 11 18 8 19 10 20 13 21 9 22 18 24 +REMARK H PARENT 22 14 13 23 18 25 +COMPND /tmp/tmp0eg3ngf_/66685484_s850190_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 C UNL A 1 24.854 18.642 -7.704 1.00 0.00 C +ATOM 2 C UNL A 1 23.681 18.871 -6.977 1.00 0.00 C +ATOM 3 C UNL A 1 22.656 17.922 -6.983 1.00 0.00 C +ATOM 4 C UNL A 1 22.811 16.748 -7.715 1.00 0.00 C +ATOM 5 C UNL A 1 23.979 16.496 -8.423 1.00 0.00 C +ATOM 6 C UNL A 1 25.009 17.434 -8.404 1.00 0.00 C +ATOM 7 C UNL A 1 25.936 19.651 -7.733 1.00 0.00 C +ATOM 8 C UNL A 1 26.924 19.559 -8.912 1.00 0.00 C +ATOM 9 C UNL A 1 27.230 21.729 -9.824 1.00 0.00 C +ATOM 10 C UNL A 1 27.921 20.730 -8.932 1.00 0.00 C +ATOM 11 N UNL A 1 26.345 21.047 -10.627 1.00 0.00 N +ATOM 12 C UNL A 1 26.335 19.644 -10.331 1.00 0.00 C +ATOM 13 O UNL A 1 27.439 22.934 -9.863 1.00 0.00 O +ATOM 14 H UNL A 1 25.719 21.529 -11.261 1.00 0.00 H +ATOM 15 C UNL A 1 26.059 20.498 -6.676 1.00 0.00 C +ATOM 16 C UNL A 1 26.975 20.263 -5.474 1.00 0.00 C +ATOM 17 C UNL A 1 25.523 21.925 -6.612 1.00 0.00 C +ATOM 18 C UNL A 1 28.099 21.347 -5.452 1.00 0.00 C +ATOM 19 C UNL A 1 26.685 22.929 -6.333 1.00 0.00 C +ATOM 20 C UNL A 1 27.902 22.342 -4.312 1.00 0.00 C +ATOM 21 N UNL A 1 27.987 22.274 -6.611 1.00 0.00 N +ATOM 22 C UNL A 1 26.822 23.286 -4.843 1.00 0.00 C +ATOM 23 H UNL A 1 28.732 22.969 -6.554 1.00 0.00 H +ATOM 24 O UNL A 1 21.827 15.804 -7.760 1.00 0.00 O +ATOM 25 H UNL A 1 20.979 16.253 -7.911 1.00 0.00 H +CONECT 1 6 6 7 2 +CONECT 2 1 3 3 +CONECT 3 4 2 2 +CONECT 4 5 5 24 3 +CONECT 5 6 4 4 +CONECT 6 5 1 1 +CONECT 7 8 1 15 +CONECT 8 12 10 7 +CONECT 9 11 13 13 10 +CONECT 10 9 8 +CONECT 11 14 12 9 +CONECT 12 11 8 +CONECT 13 9 9 +CONECT 14 11 +CONECT 15 7 17 16 +CONECT 16 15 18 +CONECT 17 15 19 +CONECT 18 21 16 20 +CONECT 19 17 21 22 +CONECT 20 18 22 +CONECT 21 23 19 18 +CONECT 22 19 20 +CONECT 23 21 +CONECT 24 25 4 +CONECT 25 24 +MASTER 0 0 0 0 0 0 0 0 25 0 25 0 +END diff --git a/s852938_cmpx.pdb b/s852938_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..f552103b7d134e51d4098b2e3c5e287c5d3aa52a --- /dev/null +++ b/s852938_cmpx.pdb @@ -0,0 +1,1606 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.6 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc([C@@H]3CCC(F)(F)C3)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 16 9 17 10 18 11 19 12 9 14 +REMARK SMILES IDX 10 15 15 16 11 17 12 18 13 19 14 20 +REMARK H PARENT 19 13 +COMPND /tmp/tmpvihr_ahs/65772950_s852938_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.898 16.086 -7.774 1.00 0.00 O +ATOM 2 C UNL A 1 22.919 16.776 -7.756 1.00 0.00 C +ATOM 3 C UNL A 1 23.047 17.995 -6.823 1.00 0.00 C +ATOM 4 O UNL A 1 24.319 18.420 -6.352 1.00 0.00 O +ATOM 5 C UNL A 1 25.003 19.072 -7.341 1.00 0.00 C +ATOM 6 C UNL A 1 25.252 20.432 -7.195 1.00 0.00 C +ATOM 7 C UNL A 1 25.946 21.118 -8.194 1.00 0.00 C +ATOM 8 C UNL A 1 26.404 20.445 -9.338 1.00 0.00 C +ATOM 9 C UNL A 1 26.175 19.063 -9.443 1.00 0.00 C +ATOM 10 C UNL A 1 25.485 18.365 -8.442 1.00 0.00 C +ATOM 11 C UNL A 1 25.290 16.881 -8.509 1.00 0.00 C +ATOM 12 N UNL A 1 23.907 16.501 -8.658 1.00 0.00 N +ATOM 13 H UNL A 1 23.714 15.659 -9.185 1.00 0.00 H +ATOM 14 C UNL A 1 27.113 21.167 -10.459 1.00 0.00 C +ATOM 15 C UNL A 1 26.216 21.616 -11.628 1.00 0.00 C +ATOM 16 C UNL A 1 28.216 20.337 -11.121 1.00 0.00 C +ATOM 17 C UNL A 1 27.077 21.497 -12.890 1.00 0.00 C +ATOM 18 C UNL A 1 28.457 21.117 -12.392 1.00 0.00 C +ATOM 19 F UNL A 1 29.144 20.404 -13.302 1.00 0.00 F +ATOM 20 F UNL A 1 29.174 22.233 -12.117 1.00 0.00 F +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 15 16 8 +CONECT 15 17 14 +CONECT 16 18 14 +CONECT 17 18 15 +CONECT 18 19 17 20 16 +CONECT 19 18 +CONECT 20 18 +MASTER 0 0 0 0 0 0 0 0 20 0 20 0 +END diff --git a/s855943_cmpx.pdb b/s855943_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..a47a3365af4109370d1032ebff774c641d89e7bc --- /dev/null +++ b/s855943_cmpx.pdb @@ -0,0 +1,1612 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.9 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc([C@@H]3CCOc4ccccc43)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 19 9 20 10 21 11 22 12 9 14 +REMARK SMILES IDX 10 15 18 16 11 17 13 18 17 19 12 20 14 21 16 22 15 23 +REMARK H PARENT 22 13 +COMPND /tmp/tmp4hgzku2w/66688381_s855943_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.537 16.024 -7.480 1.00 0.00 O +ATOM 2 C UNL A 1 22.552 16.716 -7.591 1.00 0.00 C +ATOM 3 C UNL A 1 22.759 17.973 -6.738 1.00 0.00 C +ATOM 4 O UNL A 1 24.061 18.394 -6.373 1.00 0.00 O +ATOM 5 C UNL A 1 24.716 18.974 -7.424 1.00 0.00 C +ATOM 6 C UNL A 1 25.078 20.314 -7.306 1.00 0.00 C +ATOM 7 C UNL A 1 25.893 20.904 -8.272 1.00 0.00 C +ATOM 8 C UNL A 1 26.366 20.148 -9.354 1.00 0.00 C +ATOM 9 C UNL A 1 25.949 18.808 -9.480 1.00 0.00 C +ATOM 10 C UNL A 1 25.135 18.206 -8.510 1.00 0.00 C +ATOM 11 C UNL A 1 24.849 16.736 -8.559 1.00 0.00 C +ATOM 12 N UNL A 1 23.444 16.405 -8.576 1.00 0.00 N +ATOM 13 H UNL A 1 23.193 15.542 -9.041 1.00 0.00 H +ATOM 14 C UNL A 1 27.417 20.729 -10.302 1.00 0.00 C +ATOM 15 C UNL A 1 28.620 21.306 -9.537 1.00 0.00 C +ATOM 16 C UNL A 1 26.785 21.723 -11.255 1.00 0.00 C +ATOM 17 C UNL A 1 28.970 22.732 -9.938 1.00 0.00 C +ATOM 18 C UNL A 1 27.007 23.089 -11.095 1.00 0.00 C +ATOM 19 C UNL A 1 25.887 21.296 -12.249 1.00 0.00 C +ATOM 20 O UNL A 1 27.829 23.571 -10.112 1.00 0.00 O +ATOM 21 C UNL A 1 26.341 24.024 -11.885 1.00 0.00 C +ATOM 22 C UNL A 1 25.228 22.227 -13.053 1.00 0.00 C +ATOM 23 C UNL A 1 25.453 23.590 -12.873 1.00 0.00 C +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 16 15 8 +CONECT 15 14 17 +CONECT 16 19 19 18 14 +CONECT 17 20 15 +CONECT 18 21 21 16 20 +CONECT 19 22 16 16 +CONECT 20 18 17 +CONECT 21 23 18 18 +CONECT 22 23 23 19 +CONECT 23 22 22 21 +MASTER 0 0 0 0 0 0 0 0 23 0 23 0 +END diff --git a/s870180_cmpx.pdb b/s870180_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..9c3013d52be22f6eea5f116ece529defa1d12dca --- /dev/null +++ b/s870180_cmpx.pdb @@ -0,0 +1,1610 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -9.1 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(-c3ccc4c(c3)OCC4)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 18 9 19 10 20 11 21 12 9 14 +REMARK SMILES IDX 10 15 14 16 11 17 13 18 12 19 15 20 17 21 16 22 +REMARK H PARENT 21 13 +COMPND /tmp/tmp2qfi1qbo/66696328_s870180_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.635 16.114 -7.618 1.00 0.00 O +ATOM 2 C UNL A 1 22.702 16.732 -7.654 1.00 0.00 C +ATOM 3 C UNL A 1 22.916 18.012 -6.821 1.00 0.00 C +ATOM 4 O UNL A 1 24.213 18.420 -6.403 1.00 0.00 O +ATOM 5 C UNL A 1 24.914 18.938 -7.458 1.00 0.00 C +ATOM 6 C UNL A 1 25.246 20.290 -7.450 1.00 0.00 C +ATOM 7 C UNL A 1 25.943 20.840 -8.533 1.00 0.00 C +ATOM 8 C UNL A 1 26.319 20.047 -9.631 1.00 0.00 C +ATOM 9 C UNL A 1 26.001 18.674 -9.581 1.00 0.00 C +ATOM 10 C UNL A 1 25.326 18.107 -8.494 1.00 0.00 C +ATOM 11 C UNL A 1 25.062 16.637 -8.424 1.00 0.00 C +ATOM 12 N UNL A 1 23.662 16.319 -8.532 1.00 0.00 N +ATOM 13 H UNL A 1 23.414 15.455 -8.997 1.00 0.00 H +ATOM 14 C UNL A 1 26.988 20.606 -10.826 1.00 0.00 C +ATOM 15 C UNL A 1 26.265 21.340 -11.798 1.00 0.00 C +ATOM 16 C UNL A 1 28.348 20.338 -11.077 1.00 0.00 C +ATOM 17 C UNL A 1 26.853 21.745 -13.005 1.00 0.00 C +ATOM 18 C UNL A 1 28.904 20.732 -12.277 1.00 0.00 C +ATOM 19 C UNL A 1 28.175 21.414 -13.232 1.00 0.00 C +ATOM 20 O UNL A 1 30.186 20.435 -12.659 1.00 0.00 O +ATOM 21 C UNL A 1 28.997 21.576 -14.450 1.00 0.00 C +ATOM 22 C UNL A 1 30.364 21.180 -13.886 1.00 0.00 C +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 15 15 16 8 +CONECT 15 17 14 14 +CONECT 16 18 18 14 +CONECT 17 19 19 15 +CONECT 18 19 20 16 16 +CONECT 19 21 17 17 18 +CONECT 20 22 18 +CONECT 21 22 19 +CONECT 22 21 20 +MASTER 0 0 0 0 0 0 0 0 22 0 22 0 +END diff --git a/s871249_cmpx.pdb b/s871249_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..1ac0077feb817e3d5890eaca9b04a22390f685d5 --- /dev/null +++ b/s871249_cmpx.pdb @@ -0,0 +1,1612 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.7 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(-c3cnc4c(c3)CNC4)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 18 9 19 10 20 11 21 12 9 14 +REMARK SMILES IDX 10 15 14 16 11 17 13 18 12 19 15 20 17 21 16 22 +REMARK H PARENT 21 13 16 23 +COMPND /tmp/tmpb_yt2n53/66696842_s871249_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.695 16.083 -7.643 1.00 0.00 O +ATOM 2 C UNL A 1 22.741 16.734 -7.684 1.00 0.00 C +ATOM 3 C UNL A 1 22.932 18.001 -6.828 1.00 0.00 C +ATOM 4 O UNL A 1 24.224 18.415 -6.404 1.00 0.00 O +ATOM 5 C UNL A 1 24.919 18.968 -7.444 1.00 0.00 C +ATOM 6 C UNL A 1 25.231 20.320 -7.397 1.00 0.00 C +ATOM 7 C UNL A 1 25.937 20.903 -8.455 1.00 0.00 C +ATOM 8 C UNL A 1 26.339 20.149 -9.574 1.00 0.00 C +ATOM 9 C UNL A 1 26.042 18.771 -9.566 1.00 0.00 C +ATOM 10 C UNL A 1 25.353 18.171 -8.501 1.00 0.00 C +ATOM 11 C UNL A 1 25.098 16.696 -8.464 1.00 0.00 C +ATOM 12 N UNL A 1 23.700 16.372 -8.586 1.00 0.00 N +ATOM 13 H UNL A 1 23.465 15.511 -9.065 1.00 0.00 H +ATOM 14 C UNL A 1 27.025 20.778 -10.724 1.00 0.00 C +ATOM 15 C UNL A 1 26.620 22.016 -11.257 1.00 0.00 C +ATOM 16 C UNL A 1 28.147 20.183 -11.327 1.00 0.00 C +ATOM 17 N UNL A 1 27.229 22.684 -12.272 1.00 0.00 N +ATOM 18 C UNL A 1 28.778 20.841 -12.369 1.00 0.00 C +ATOM 19 C UNL A 1 28.301 22.064 -12.788 1.00 0.00 C +ATOM 20 C UNL A 1 29.970 20.454 -13.165 1.00 0.00 C +ATOM 21 C UNL A 1 29.176 22.588 -13.888 1.00 0.00 C +ATOM 22 N UNL A 1 30.214 21.548 -14.135 1.00 0.00 N +ATOM 23 H UNL A 1 30.066 21.180 -15.076 1.00 0.00 H +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 16 16 15 8 +CONECT 15 17 17 14 +CONECT 16 18 14 14 +CONECT 17 19 15 15 +CONECT 18 20 19 19 16 +CONECT 19 21 18 18 17 +CONECT 20 22 18 +CONECT 21 22 19 +CONECT 22 23 21 20 +CONECT 23 22 +MASTER 0 0 0 0 0 0 0 0 23 0 23 0 +END diff --git a/s874210_cmpx.pdb b/s874210_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..255a4f047f493ef287a7faff889eb343fdb7fd1e --- /dev/null +++ b/s874210_cmpx.pdb @@ -0,0 +1,1612 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.5 0.000 0.000 +REMARK CORE N12CCNCC1=CC=N2 +REMARK SMILES Oc1ccc(C2=NO[C@@H](c3cnn4c3CNCC4)C2)cc1 +REMARK SMILES IDX 2 1 3 2 4 3 5 4 20 5 21 6 1 7 6 9 7 10 19 11 8 12 9 13 10 14 +REMARK SMILES IDX 11 15 14 16 12 17 13 18 15 19 18 20 16 21 17 22 +REMARK H PARENT 1 8 16 23 +COMPND /tmp/tmpnxenqlia/65796086_s874210_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 C UNL A 1 22.680 16.784 -7.629 1.00 0.00 C +ATOM 2 C UNL A 1 22.783 17.972 -6.914 1.00 0.00 C +ATOM 3 C UNL A 1 23.967 18.713 -6.979 1.00 0.00 C +ATOM 4 C UNL A 1 25.040 18.264 -7.760 1.00 0.00 C +ATOM 5 C UNL A 1 24.924 17.059 -8.466 1.00 0.00 C +ATOM 6 C UNL A 1 23.741 16.321 -8.400 1.00 0.00 C +ATOM 7 O UNL A 1 21.544 16.031 -7.603 1.00 0.00 O +ATOM 8 H UNL A 1 21.033 16.266 -6.811 1.00 0.00 H +ATOM 9 C UNL A 1 26.280 19.070 -7.824 1.00 0.00 C +ATOM 10 N UNL A 1 27.041 19.278 -6.802 1.00 0.00 N +ATOM 11 C UNL A 1 26.739 19.685 -9.095 1.00 0.00 C +ATOM 12 O UNL A 1 28.139 20.060 -7.229 1.00 0.00 O +ATOM 13 C UNL A 1 27.926 20.474 -8.591 1.00 0.00 C +ATOM 14 C UNL A 1 29.144 20.276 -9.431 1.00 0.00 C +ATOM 15 C UNL A 1 30.402 19.779 -9.009 1.00 0.00 C +ATOM 16 C UNL A 1 29.325 20.537 -10.779 1.00 0.00 C +ATOM 17 N UNL A 1 31.294 19.713 -10.000 1.00 0.00 N +ATOM 18 N UNL A 1 30.599 20.137 -11.068 1.00 0.00 N +ATOM 19 C UNL A 1 28.419 21.057 -11.840 1.00 0.00 C +ATOM 20 C UNL A 1 31.204 20.209 -12.382 1.00 0.00 C +ATOM 21 N UNL A 1 29.164 21.484 -13.035 1.00 0.00 N +ATOM 22 C UNL A 1 30.125 20.446 -13.440 1.00 0.00 C +ATOM 23 H UNL A 1 29.663 22.344 -12.807 1.00 0.00 H +CONECT 1 6 6 7 2 +CONECT 2 1 3 3 +CONECT 3 4 2 2 +CONECT 4 5 5 9 3 +CONECT 5 6 4 4 +CONECT 6 5 1 1 +CONECT 7 1 8 +CONECT 8 7 +CONECT 9 11 4 10 10 +CONECT 10 9 9 12 +CONECT 11 13 9 +CONECT 12 13 10 +CONECT 13 14 11 12 +CONECT 14 16 16 15 13 +CONECT 15 17 17 14 +CONECT 16 19 18 14 14 +CONECT 17 18 15 15 +CONECT 18 20 16 17 +CONECT 19 21 16 +CONECT 20 22 18 +CONECT 21 22 23 19 +CONECT 22 21 20 +CONECT 23 21 +MASTER 0 0 0 0 0 0 0 0 23 0 23 0 +END diff --git a/s874212_cmpx.pdb b/s874212_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..7eaf1ef9c6ba58fe32f6dc03fe91250160abd2b3 --- /dev/null +++ b/s874212_cmpx.pdb @@ -0,0 +1,1614 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.4 0.000 0.000 +REMARK CORE N12CCCNCC1=CC=N2 +REMARK SMILES Oc1ccc(C2=NO[C@@H](c3cnn4c3CNCCC4)C2)cc1 +REMARK SMILES IDX 2 1 3 2 4 3 5 4 21 5 22 6 1 7 6 9 7 10 20 11 8 12 9 13 10 14 +REMARK SMILES IDX 11 15 14 16 12 17 13 18 15 19 19 20 16 21 18 22 17 23 +REMARK H PARENT 1 8 16 24 +COMPND /tmp/tmpwqnamc36/65796088_s874212_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 C UNL A 1 22.773 16.787 -7.666 1.00 0.00 C +ATOM 2 C UNL A 1 22.793 17.980 -6.948 1.00 0.00 C +ATOM 3 C UNL A 1 23.948 18.768 -6.963 1.00 0.00 C +ATOM 4 C UNL A 1 25.073 18.365 -7.691 1.00 0.00 C +ATOM 5 C UNL A 1 25.037 17.162 -8.409 1.00 0.00 C +ATOM 6 C UNL A 1 23.884 16.374 -8.393 1.00 0.00 C +ATOM 7 O UNL A 1 21.673 15.985 -7.684 1.00 0.00 O +ATOM 8 H UNL A 1 20.912 16.492 -7.357 1.00 0.00 H +ATOM 9 C UNL A 1 26.285 19.219 -7.689 1.00 0.00 C +ATOM 10 N UNL A 1 27.061 19.339 -6.664 1.00 0.00 N +ATOM 11 C UNL A 1 26.677 20.004 -8.887 1.00 0.00 C +ATOM 12 O UNL A 1 28.111 20.216 -7.015 1.00 0.00 O +ATOM 13 C UNL A 1 27.922 20.682 -8.363 1.00 0.00 C +ATOM 14 C UNL A 1 29.124 20.423 -9.214 1.00 0.00 C +ATOM 15 C UNL A 1 30.234 19.616 -8.890 1.00 0.00 C +ATOM 16 C UNL A 1 29.409 20.916 -10.484 1.00 0.00 C +ATOM 17 N UNL A 1 31.150 19.597 -9.856 1.00 0.00 N +ATOM 18 N UNL A 1 30.651 20.422 -10.795 1.00 0.00 N +ATOM 19 C UNL A 1 28.621 21.855 -11.327 1.00 0.00 C +ATOM 20 C UNL A 1 31.492 20.776 -11.917 1.00 0.00 C +ATOM 21 N UNL A 1 28.642 21.689 -12.772 1.00 0.00 N +ATOM 22 C UNL A 1 30.852 20.715 -13.301 1.00 0.00 C +ATOM 23 C UNL A 1 29.339 20.546 -13.330 1.00 0.00 C +ATOM 24 H UNL A 1 28.945 22.554 -13.218 1.00 0.00 H +CONECT 1 6 6 7 2 +CONECT 2 1 3 3 +CONECT 3 4 2 2 +CONECT 4 5 5 9 3 +CONECT 5 6 4 4 +CONECT 6 5 1 1 +CONECT 7 1 8 +CONECT 8 7 +CONECT 9 11 4 10 10 +CONECT 10 9 9 12 +CONECT 11 13 9 +CONECT 12 13 10 +CONECT 13 14 11 12 +CONECT 14 16 16 15 13 +CONECT 15 17 17 14 +CONECT 16 19 18 14 14 +CONECT 17 18 15 15 +CONECT 18 20 16 17 +CONECT 19 21 16 +CONECT 20 22 22 18 +CONECT 21 23 24 19 +CONECT 22 23 20 20 +CONECT 23 22 21 +CONECT 24 21 +MASTER 0 0 0 0 0 0 0 0 24 0 24 0 +END diff --git a/s893002_cmpx.pdb b/s893002_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..01323e755e5e6d4ea1aa6dcadb5e7e5a3dc78c65 --- /dev/null +++ b/s893002_cmpx.pdb @@ -0,0 +1,1612 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.5 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(N3CC[C@@H]3c3ccccc3)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 19 9 20 10 21 11 22 12 9 14 +REMARK SMILES IDX 10 15 12 16 11 17 13 18 14 19 18 20 15 21 17 22 16 23 +REMARK H PARENT 22 13 +COMPND /tmp/tmpceifpq9f/65816149_s893002_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.795 16.103 -7.764 1.00 0.00 O +ATOM 2 C UNL A 1 22.831 16.768 -7.726 1.00 0.00 C +ATOM 3 C UNL A 1 22.936 18.045 -6.874 1.00 0.00 C +ATOM 4 O UNL A 1 24.186 18.451 -6.335 1.00 0.00 O +ATOM 5 C UNL A 1 24.966 19.016 -7.306 1.00 0.00 C +ATOM 6 C UNL A 1 25.268 20.368 -7.212 1.00 0.00 C +ATOM 7 C UNL A 1 26.086 20.957 -8.179 1.00 0.00 C +ATOM 8 C UNL A 1 26.622 20.206 -9.238 1.00 0.00 C +ATOM 9 C UNL A 1 26.307 18.841 -9.304 1.00 0.00 C +ATOM 10 C UNL A 1 25.500 18.230 -8.327 1.00 0.00 C +ATOM 11 C UNL A 1 25.250 16.754 -8.318 1.00 0.00 C +ATOM 12 N UNL A 1 23.867 16.409 -8.542 1.00 0.00 N +ATOM 13 H UNL A 1 23.681 15.538 -9.023 1.00 0.00 H +ATOM 14 N UNL A 1 27.452 20.832 -10.192 1.00 0.00 N +ATOM 15 C UNL A 1 28.781 21.323 -9.981 1.00 0.00 C +ATOM 16 C UNL A 1 27.658 20.529 -11.585 1.00 0.00 C +ATOM 17 C UNL A 1 29.155 20.803 -11.365 1.00 0.00 C +ATOM 18 C UNL A 1 26.817 21.511 -12.516 1.00 0.00 C +ATOM 19 C UNL A 1 25.407 21.508 -12.508 1.00 0.00 C +ATOM 20 C UNL A 1 27.420 22.421 -13.412 1.00 0.00 C +ATOM 21 C UNL A 1 24.654 22.344 -13.340 1.00 0.00 C +ATOM 22 C UNL A 1 26.679 23.255 -14.251 1.00 0.00 C +ATOM 23 C UNL A 1 25.289 23.215 -14.217 1.00 0.00 C +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 16 15 8 +CONECT 15 17 14 +CONECT 16 18 17 14 +CONECT 17 16 15 +CONECT 18 20 20 19 16 +CONECT 19 21 21 18 +CONECT 20 22 18 18 +CONECT 21 23 19 19 +CONECT 22 23 23 20 +CONECT 23 22 22 21 +MASTER 0 0 0 0 0 0 0 0 23 0 23 0 +END diff --git a/s893158_cmpx.pdb b/s893158_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..dc97b38c936b8447af80e4a3cdc9e5c742ec45bc --- /dev/null +++ b/s893158_cmpx.pdb @@ -0,0 +1,1610 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.5 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc([C@@H]3[C@@H]4C[C@@H]5C[C@H]3CN5C4)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 18 9 19 10 20 11 21 12 9 14 +REMARK SMILES IDX 10 15 14 16 11 17 17 18 13 19 15 20 12 21 16 22 +REMARK H PARENT 21 13 +COMPND /tmp/tmpfl1l8kjv/66708693_s893158_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.723 16.075 -7.684 1.00 0.00 O +ATOM 2 C UNL A 1 22.759 16.746 -7.702 1.00 0.00 C +ATOM 3 C UNL A 1 22.930 17.979 -6.799 1.00 0.00 C +ATOM 4 O UNL A 1 24.225 18.363 -6.359 1.00 0.00 O +ATOM 5 C UNL A 1 24.898 18.983 -7.374 1.00 0.00 C +ATOM 6 C UNL A 1 25.149 20.341 -7.275 1.00 0.00 C +ATOM 7 C UNL A 1 25.843 20.991 -8.299 1.00 0.00 C +ATOM 8 C UNL A 1 26.304 20.295 -9.432 1.00 0.00 C +ATOM 9 C UNL A 1 26.070 18.906 -9.476 1.00 0.00 C +ATOM 10 C UNL A 1 25.363 18.245 -8.458 1.00 0.00 C +ATOM 11 C UNL A 1 25.120 16.767 -8.499 1.00 0.00 C +ATOM 12 N UNL A 1 23.718 16.436 -8.624 1.00 0.00 N +ATOM 13 H UNL A 1 23.489 15.595 -9.139 1.00 0.00 H +ATOM 14 C UNL A 1 27.089 21.014 -10.540 1.00 0.00 C +ATOM 15 C UNL A 1 28.362 20.221 -11.028 1.00 0.00 C +ATOM 16 C UNL A 1 27.528 22.488 -10.181 1.00 0.00 C +ATOM 17 C UNL A 1 29.455 20.275 -9.966 1.00 0.00 C +ATOM 18 C UNL A 1 29.084 21.003 -12.118 1.00 0.00 C +ATOM 19 C UNL A 1 28.653 22.472 -9.150 1.00 0.00 C +ATOM 20 C UNL A 1 28.315 23.097 -11.337 1.00 0.00 C +ATOM 21 C UNL A 1 29.750 21.778 -9.966 1.00 0.00 C +ATOM 22 N UNL A 1 29.512 22.226 -11.400 1.00 0.00 N +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 15 16 8 +CONECT 15 18 14 17 +CONECT 16 20 14 19 +CONECT 17 15 21 +CONECT 18 22 15 +CONECT 19 16 21 +CONECT 20 22 16 +CONECT 21 22 17 19 +CONECT 22 18 20 21 +MASTER 0 0 0 0 0 0 0 0 22 0 22 0 +END diff --git a/s895402_cmpx.pdb b/s895402_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..e0d8cb25e7a0d5ea6a8bc51e081f61eeebaca764 --- /dev/null +++ b/s895402_cmpx.pdb @@ -0,0 +1,1608 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.5 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc([C@H]3CCNC(=O)C3)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 16 9 17 10 18 11 19 12 9 14 +REMARK SMILES IDX 10 15 15 16 11 17 13 18 12 19 14 20 +REMARK H PARENT 19 13 12 21 +COMPND /tmp/tmpf6c1a7mv/58971047_s895402_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.728 16.061 -7.665 1.00 0.00 O +ATOM 2 C UNL A 1 22.739 16.760 -7.709 1.00 0.00 C +ATOM 3 C UNL A 1 22.918 17.979 -6.782 1.00 0.00 C +ATOM 4 O UNL A 1 24.208 18.394 -6.358 1.00 0.00 O +ATOM 5 C UNL A 1 24.881 19.021 -7.369 1.00 0.00 C +ATOM 6 C UNL A 1 25.179 20.372 -7.230 1.00 0.00 C +ATOM 7 C UNL A 1 25.895 21.028 -8.234 1.00 0.00 C +ATOM 8 C UNL A 1 26.332 20.333 -9.374 1.00 0.00 C +ATOM 9 C UNL A 1 26.045 18.963 -9.479 1.00 0.00 C +ATOM 10 C UNL A 1 25.327 18.297 -8.476 1.00 0.00 C +ATOM 11 C UNL A 1 25.070 16.824 -8.548 1.00 0.00 C +ATOM 12 N UNL A 1 23.670 16.507 -8.678 1.00 0.00 N +ATOM 13 H UNL A 1 23.437 15.680 -9.211 1.00 0.00 H +ATOM 14 C UNL A 1 27.102 21.028 -10.486 1.00 0.00 C +ATOM 15 C UNL A 1 28.408 20.289 -10.804 1.00 0.00 C +ATOM 16 C UNL A 1 26.253 21.206 -11.749 1.00 0.00 C +ATOM 17 C UNL A 1 29.175 21.077 -11.849 1.00 0.00 C +ATOM 18 C UNL A 1 27.038 21.656 -12.964 1.00 0.00 C +ATOM 19 N UNL A 1 28.368 21.353 -13.012 1.00 0.00 N +ATOM 20 O UNL A 1 26.494 22.182 -13.932 1.00 0.00 O +ATOM 21 H UNL A 1 28.825 21.695 -13.850 1.00 0.00 H +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 16 15 8 +CONECT 15 17 14 +CONECT 16 18 14 +CONECT 17 19 15 +CONECT 18 20 20 19 16 +CONECT 19 21 18 17 +CONECT 20 18 18 +CONECT 21 19 +MASTER 0 0 0 0 0 0 0 0 21 0 21 0 +END diff --git a/s899120_cmpx.pdb b/s899120_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..80a660020c33afb6c712db300b3bfe61d242be9d --- /dev/null +++ b/s899120_cmpx.pdb @@ -0,0 +1,1612 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -9.0 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(N3CCc4ccccc4C3)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 19 9 20 10 21 11 22 12 9 14 +REMARK SMILES IDX 10 15 18 16 11 17 17 18 12 19 16 20 13 21 15 22 14 23 +REMARK H PARENT 22 13 +COMPND /tmp/tmpm67wvqv1/58973265_s899120_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.690 16.107 -7.624 1.00 0.00 O +ATOM 2 C UNL A 1 22.726 16.771 -7.673 1.00 0.00 C +ATOM 3 C UNL A 1 22.939 17.986 -6.748 1.00 0.00 C +ATOM 4 O UNL A 1 24.246 18.379 -6.355 1.00 0.00 O +ATOM 5 C UNL A 1 24.889 19.007 -7.383 1.00 0.00 C +ATOM 6 C UNL A 1 25.200 20.351 -7.253 1.00 0.00 C +ATOM 7 C UNL A 1 25.867 21.008 -8.294 1.00 0.00 C +ATOM 8 C UNL A 1 26.246 20.345 -9.473 1.00 0.00 C +ATOM 9 C UNL A 1 25.951 18.975 -9.541 1.00 0.00 C +ATOM 10 C UNL A 1 25.287 18.294 -8.507 1.00 0.00 C +ATOM 11 C UNL A 1 25.043 16.821 -8.581 1.00 0.00 C +ATOM 12 N UNL A 1 23.638 16.477 -8.638 1.00 0.00 N +ATOM 13 H UNL A 1 23.393 15.644 -9.148 1.00 0.00 H +ATOM 14 N UNL A 1 26.856 20.998 -10.534 1.00 0.00 N +ATOM 15 C UNL A 1 26.114 21.249 -11.788 1.00 0.00 C +ATOM 16 C UNL A 1 28.302 21.262 -10.528 1.00 0.00 C +ATOM 17 C UNL A 1 26.879 22.204 -12.726 1.00 0.00 C +ATOM 18 C UNL A 1 28.892 21.024 -11.899 1.00 0.00 C +ATOM 19 C UNL A 1 28.225 21.585 -13.003 1.00 0.00 C +ATOM 20 C UNL A 1 30.042 20.261 -12.099 1.00 0.00 C +ATOM 21 C UNL A 1 28.756 21.463 -14.286 1.00 0.00 C +ATOM 22 C UNL A 1 30.537 20.086 -13.392 1.00 0.00 C +ATOM 23 C UNL A 1 29.909 20.704 -14.476 1.00 0.00 C +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 15 16 8 +CONECT 15 17 14 +CONECT 16 18 14 +CONECT 17 19 15 +CONECT 18 19 19 20 16 +CONECT 19 21 17 18 18 +CONECT 20 22 22 18 +CONECT 21 23 23 19 +CONECT 22 23 20 20 +CONECT 23 21 21 22 +MASTER 0 0 0 0 0 0 0 0 23 0 23 0 +END diff --git a/s902187_cmpx.pdb b/s902187_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..e3a79768b593cdff004e04165d520a395c1a259f --- /dev/null +++ b/s902187_cmpx.pdb @@ -0,0 +1,1614 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -9.5 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(-c3ccc4c(c3)CCNC4)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 19 9 20 10 21 11 22 12 9 14 +REMARK SMILES IDX 10 15 14 16 11 17 13 18 12 19 15 20 18 21 16 22 17 23 +REMARK H PARENT 22 13 17 24 +COMPND /tmp/tmp2341bzkq/65826637_s902187_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.616 16.120 -7.648 1.00 0.00 O +ATOM 2 C UNL A 1 22.674 16.745 -7.675 1.00 0.00 C +ATOM 3 C UNL A 1 22.900 17.985 -6.785 1.00 0.00 C +ATOM 4 O UNL A 1 24.197 18.396 -6.372 1.00 0.00 O +ATOM 5 C UNL A 1 24.879 18.959 -7.414 1.00 0.00 C +ATOM 6 C UNL A 1 25.210 20.311 -7.363 1.00 0.00 C +ATOM 7 C UNL A 1 25.898 20.905 -8.430 1.00 0.00 C +ATOM 8 C UNL A 1 26.263 20.146 -9.553 1.00 0.00 C +ATOM 9 C UNL A 1 25.934 18.775 -9.555 1.00 0.00 C +ATOM 10 C UNL A 1 25.276 18.164 -8.486 1.00 0.00 C +ATOM 11 C UNL A 1 25.022 16.693 -8.483 1.00 0.00 C +ATOM 12 N UNL A 1 23.623 16.376 -8.589 1.00 0.00 N +ATOM 13 H UNL A 1 23.371 15.534 -9.089 1.00 0.00 H +ATOM 14 C UNL A 1 26.932 20.704 -10.743 1.00 0.00 C +ATOM 15 C UNL A 1 26.239 21.427 -11.721 1.00 0.00 C +ATOM 16 C UNL A 1 28.280 20.394 -10.993 1.00 0.00 C +ATOM 17 C UNL A 1 26.848 21.730 -12.946 1.00 0.00 C +ATOM 18 C UNL A 1 28.880 20.656 -12.229 1.00 0.00 C +ATOM 19 C UNL A 1 28.154 21.303 -13.227 1.00 0.00 C +ATOM 20 C UNL A 1 30.307 20.274 -12.480 1.00 0.00 C +ATOM 21 C UNL A 1 28.787 21.613 -14.557 1.00 0.00 C +ATOM 22 C UNL A 1 30.578 19.969 -13.954 1.00 0.00 C +ATOM 23 N UNL A 1 29.927 20.792 -14.970 1.00 0.00 N +ATOM 24 H UNL A 1 29.643 20.191 -15.743 1.00 0.00 H +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 15 15 16 8 +CONECT 15 17 14 14 +CONECT 16 18 18 14 +CONECT 17 19 19 15 +CONECT 18 19 20 16 16 +CONECT 19 21 17 17 18 +CONECT 20 22 18 +CONECT 21 23 19 +CONECT 22 23 20 +CONECT 23 24 21 22 +CONECT 24 23 +MASTER 0 0 0 0 0 0 0 0 24 0 24 0 +END diff --git a/s910799_cmpx.pdb b/s910799_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..8e30be4ad8da3baba40ac8fbcd22a2d240a007cb --- /dev/null +++ b/s910799_cmpx.pdb @@ -0,0 +1,1612 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.4 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(C3(O)CCC(F)(F)CC3)cc2CN1 +REMARK SMILES IDX 9 1 11 2 12 3 13 4 14 5 15 6 16 7 17 8 8 9 2 10 3 11 21 12 +REMARK SMILES IDX 4 13 20 14 5 15 19 16 6 17 18 18 7 19 1 20 10 22 +REMARK H PARENT 21 21 10 23 +COMPND /tmp/tmp2f3c526j/65836043_s910799_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 C UNL A 1 27.609 20.879 -10.087 1.00 0.00 C +ATOM 2 C UNL A 1 27.674 22.412 -9.891 1.00 0.00 C +ATOM 3 C UNL A 1 26.523 23.150 -10.569 1.00 0.00 C +ATOM 4 C UNL A 1 26.458 22.817 -12.048 1.00 0.00 C +ATOM 5 F UNL A 1 25.379 23.420 -12.602 1.00 0.00 F +ATOM 6 F UNL A 1 27.549 23.333 -12.670 1.00 0.00 F +ATOM 7 C UNL A 1 26.395 21.325 -12.315 1.00 0.00 C +ATOM 8 C UNL A 1 27.521 20.578 -11.602 1.00 0.00 C +ATOM 9 C UNL A 1 26.570 20.191 -9.190 1.00 0.00 C +ATOM 10 C UNL A 1 22.724 16.746 -7.708 1.00 0.00 C +ATOM 11 C UNL A 1 22.880 17.938 -6.754 1.00 0.00 C +ATOM 12 N UNL A 1 23.735 16.411 -8.566 1.00 0.00 N +ATOM 13 O UNL A 1 24.155 18.364 -6.305 1.00 0.00 O +ATOM 14 C UNL A 1 25.132 16.726 -8.383 1.00 0.00 C +ATOM 15 C UNL A 1 24.862 18.964 -7.307 1.00 0.00 C +ATOM 16 C UNL A 1 25.399 18.201 -8.343 1.00 0.00 C +ATOM 17 C UNL A 1 25.149 20.316 -7.196 1.00 0.00 C +ATOM 18 C UNL A 1 26.251 18.822 -9.277 1.00 0.00 C +ATOM 19 C UNL A 1 25.989 20.923 -8.133 1.00 0.00 C +ATOM 20 O UNL A 1 21.665 16.118 -7.782 1.00 0.00 O +ATOM 21 H UNL A 1 23.511 15.582 -9.106 1.00 0.00 H +ATOM 22 O UNL A 1 28.885 20.361 -9.671 1.00 0.00 O +ATOM 23 H UNL A 1 28.747 19.445 -9.369 1.00 0.00 H +CONECT 1 8 2 22 9 +CONECT 2 3 1 +CONECT 3 4 2 +CONECT 4 6 5 7 3 +CONECT 5 4 +CONECT 6 4 +CONECT 7 4 8 +CONECT 8 7 1 +CONECT 9 1 18 18 19 +CONECT 10 12 20 20 11 +CONECT 11 10 13 +CONECT 12 21 14 10 +CONECT 13 15 11 +CONECT 14 12 16 +CONECT 15 16 16 17 13 +CONECT 16 18 14 15 15 +CONECT 17 19 19 15 +CONECT 18 9 9 16 +CONECT 19 9 17 17 +CONECT 20 10 10 +CONECT 21 12 +CONECT 22 1 23 +CONECT 23 22 +MASTER 0 0 0 0 0 0 0 0 23 0 23 0 +END diff --git a/s936050_cmpx.pdb b/s936050_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..30b6faea381f245f00b3bef8de5845356ae09d08 --- /dev/null +++ b/s936050_cmpx.pdb @@ -0,0 +1,1612 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.8 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(C(=O)c3occ4c3CCC4)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 19 9 20 10 21 11 22 12 9 14 +REMARK SMILES IDX 10 15 11 16 12 17 15 18 13 19 14 20 16 21 18 22 17 23 +REMARK H PARENT 22 13 +COMPND /tmp/tmphdm17nln/65862961_s936050_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.541 16.051 -7.657 1.00 0.00 O +ATOM 2 C UNL A 1 22.586 16.705 -7.668 1.00 0.00 C +ATOM 3 C UNL A 1 22.751 17.975 -6.815 1.00 0.00 C +ATOM 4 O UNL A 1 24.025 18.359 -6.319 1.00 0.00 O +ATOM 5 C UNL A 1 24.798 18.892 -7.314 1.00 0.00 C +ATOM 6 C UNL A 1 25.130 20.241 -7.249 1.00 0.00 C +ATOM 7 C UNL A 1 25.930 20.806 -8.242 1.00 0.00 C +ATOM 8 C UNL A 1 26.425 20.010 -9.287 1.00 0.00 C +ATOM 9 C UNL A 1 26.098 18.646 -9.328 1.00 0.00 C +ATOM 10 C UNL A 1 25.291 18.074 -8.334 1.00 0.00 C +ATOM 11 C UNL A 1 24.974 16.611 -8.329 1.00 0.00 C +ATOM 12 N UNL A 1 23.573 16.346 -8.544 1.00 0.00 N +ATOM 13 H UNL A 1 23.341 15.496 -9.043 1.00 0.00 H +ATOM 14 C UNL A 1 27.238 20.587 -10.399 1.00 0.00 C +ATOM 15 O UNL A 1 26.640 21.213 -11.277 1.00 0.00 O +ATOM 16 C UNL A 1 28.673 20.423 -10.395 1.00 0.00 C +ATOM 17 O UNL A 1 29.354 20.274 -9.200 1.00 0.00 O +ATOM 18 C UNL A 1 29.591 20.343 -11.412 1.00 0.00 C +ATOM 19 C UNL A 1 30.682 20.106 -9.487 1.00 0.00 C +ATOM 20 C UNL A 1 30.854 20.151 -10.838 1.00 0.00 C +ATOM 21 C UNL A 1 29.636 20.419 -12.882 1.00 0.00 C +ATOM 22 C UNL A 1 31.929 20.060 -11.839 1.00 0.00 C +ATOM 23 C UNL A 1 31.160 20.237 -13.192 1.00 0.00 C +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 15 15 16 8 +CONECT 15 14 14 +CONECT 16 18 14 17 +CONECT 17 16 19 +CONECT 18 21 21 20 16 +CONECT 19 20 20 17 +CONECT 20 22 18 19 19 +CONECT 21 23 18 18 +CONECT 22 23 23 20 +CONECT 23 21 22 22 +MASTER 0 0 0 0 0 0 0 0 23 0 23 0 +END diff --git a/s953896_cmpx.pdb b/s953896_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..656c5a1aed2d259214cb7f26c6d82d318c86ccac --- /dev/null +++ b/s953896_cmpx.pdb @@ -0,0 +1,1610 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -9.2 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(C3(c4ccccc4)CC3)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 18 9 19 10 20 11 21 12 9 14 +REMARK SMILES IDX 16 15 17 16 10 17 11 18 15 19 12 20 14 21 13 22 +REMARK H PARENT 21 13 +COMPND /tmp/tmpft_9quao/66741820_s953896_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.781 16.079 -7.717 1.00 0.00 O +ATOM 2 C UNL A 1 22.830 16.726 -7.697 1.00 0.00 C +ATOM 3 C UNL A 1 22.983 17.975 -6.805 1.00 0.00 C +ATOM 4 O UNL A 1 24.258 18.419 -6.361 1.00 0.00 O +ATOM 5 C UNL A 1 24.956 18.999 -7.385 1.00 0.00 C +ATOM 6 C UNL A 1 25.232 20.360 -7.324 1.00 0.00 C +ATOM 7 C UNL A 1 25.934 20.969 -8.370 1.00 0.00 C +ATOM 8 C UNL A 1 26.370 20.235 -9.488 1.00 0.00 C +ATOM 9 C UNL A 1 26.121 18.848 -9.485 1.00 0.00 C +ATOM 10 C UNL A 1 25.430 18.219 -8.437 1.00 0.00 C +ATOM 11 C UNL A 1 25.215 16.738 -8.415 1.00 0.00 C +ATOM 12 N UNL A 1 23.827 16.372 -8.558 1.00 0.00 N +ATOM 13 H UNL A 1 23.620 15.514 -9.053 1.00 0.00 H +ATOM 14 C UNL A 1 27.037 20.911 -10.692 1.00 0.00 C +ATOM 15 C UNL A 1 26.550 22.310 -11.073 1.00 0.00 C +ATOM 16 C UNL A 1 26.147 21.149 -11.918 1.00 0.00 C +ATOM 17 C UNL A 1 28.498 20.553 -10.997 1.00 0.00 C +ATOM 18 C UNL A 1 28.982 20.549 -12.318 1.00 0.00 C +ATOM 19 C UNL A 1 29.432 20.304 -9.974 1.00 0.00 C +ATOM 20 C UNL A 1 30.337 20.357 -12.603 1.00 0.00 C +ATOM 21 C UNL A 1 30.790 20.121 -10.253 1.00 0.00 C +ATOM 22 C UNL A 1 31.244 20.158 -11.568 1.00 0.00 C +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 16 15 17 8 +CONECT 15 16 14 +CONECT 16 15 14 +CONECT 17 18 18 14 19 +CONECT 18 20 17 17 +CONECT 19 17 21 21 +CONECT 20 18 22 22 +CONECT 21 22 19 19 +CONECT 22 20 20 21 +MASTER 0 0 0 0 0 0 0 0 22 0 22 0 +END diff --git a/s982379_cmpx.pdb b/s982379_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..58af92237335907da390cf0629410d50d8f97253 --- /dev/null +++ b/s982379_cmpx.pdb @@ -0,0 +1,1614 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.5 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc(-c3nc4c([nH]3)COCCC4)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 19 9 20 10 21 11 22 12 9 14 +REMARK SMILES IDX 10 15 13 16 11 17 12 18 18 19 14 20 17 21 15 22 16 23 +REMARK H PARENT 22 13 13 24 +COMPND /tmp/tmpfl1l8kjv/66757115_s982379_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.630 16.081 -7.635 1.00 0.00 O +ATOM 2 C UNL A 1 22.680 16.727 -7.661 1.00 0.00 C +ATOM 3 C UNL A 1 22.868 17.979 -6.790 1.00 0.00 C +ATOM 4 O UNL A 1 24.160 18.377 -6.358 1.00 0.00 O +ATOM 5 C UNL A 1 24.859 18.948 -7.384 1.00 0.00 C +ATOM 6 C UNL A 1 25.177 20.299 -7.296 1.00 0.00 C +ATOM 7 C UNL A 1 25.925 20.901 -8.310 1.00 0.00 C +ATOM 8 C UNL A 1 26.370 20.152 -9.411 1.00 0.00 C +ATOM 9 C UNL A 1 26.063 18.781 -9.462 1.00 0.00 C +ATOM 10 C UNL A 1 25.311 18.168 -8.449 1.00 0.00 C +ATOM 11 C UNL A 1 25.044 16.695 -8.456 1.00 0.00 C +ATOM 12 N UNL A 1 23.640 16.373 -8.564 1.00 0.00 N +ATOM 13 H UNL A 1 23.404 15.517 -9.051 1.00 0.00 H +ATOM 14 C UNL A 1 27.164 20.753 -10.484 1.00 0.00 C +ATOM 15 N UNL A 1 27.980 20.117 -11.307 1.00 0.00 N +ATOM 16 N UNL A 1 27.143 22.091 -10.798 1.00 0.00 N +ATOM 17 C UNL A 1 28.507 21.069 -12.152 1.00 0.00 C +ATOM 18 C UNL A 1 27.979 22.309 -11.862 1.00 0.00 C +ATOM 19 C UNL A 1 29.510 20.701 -13.186 1.00 0.00 C +ATOM 20 C UNL A 1 28.137 23.644 -12.480 1.00 0.00 C +ATOM 21 C UNL A 1 29.360 21.382 -14.552 1.00 0.00 C +ATOM 22 O UNL A 1 28.861 23.572 -13.707 1.00 0.00 O +ATOM 23 C UNL A 1 28.409 22.571 -14.615 1.00 0.00 C +ATOM 24 H UNL A 1 26.567 22.784 -10.341 1.00 0.00 H +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 15 15 16 8 +CONECT 15 17 14 14 +CONECT 16 18 14 24 +CONECT 17 19 18 18 15 +CONECT 18 20 17 17 16 +CONECT 19 21 21 17 +CONECT 20 22 18 +CONECT 21 23 19 19 +CONECT 22 23 20 +CONECT 23 21 22 +CONECT 24 16 +MASTER 0 0 0 0 0 0 0 0 24 0 24 0 +END diff --git a/s998578_cmpx.pdb b/s998578_cmpx.pdb new file mode 100644 index 0000000000000000000000000000000000000000..2cab95eb2b9f6be6d15577d681ca8d62c09b2558 --- /dev/null +++ b/s998578_cmpx.pdb @@ -0,0 +1,1612 @@ +ATOM 1 N SER A 20 15.631 13.498 17.938 1.00 44.14 N +ATOM 2 CA SER A 20 14.376 13.816 17.233 1.00 50.16 C +ATOM 3 C SER A 20 14.454 15.073 16.370 1.00 41.49 C +ATOM 4 O SER A 20 13.806 15.003 15.346 1.00 41.90 O +ATOM 5 CB SER A 20 13.127 13.837 18.082 1.00 50.68 C +ATOM 6 OG SER A 20 13.197 14.813 19.074 1.00 69.83 O +ATOM 7 H SER A 20 15.535 13.669 18.830 1.00 45.89 H +ATOM 8 HA SER A 20 14.247 13.065 16.593 1.00 47.28 H +ATOM 9 HB2 SER A 20 12.347 14.011 17.508 1.00 54.52 H +ATOM 10 HB3 SER A 20 13.006 12.955 18.501 1.00 54.59 H +ATOM 11 N ILE A 21 15.175 16.162 16.695 1.00 33.12 N +ATOM 12 CA ILE A 21 15.253 17.357 15.819 1.00 30.16 C +ATOM 13 C ILE A 21 16.659 17.450 15.200 1.00 29.37 C +ATOM 14 O ILE A 21 17.658 17.072 15.824 1.00 31.93 O +ATOM 15 CB ILE A 21 14.958 18.597 16.661 1.00 40.73 C +ATOM 16 CG1 ILE A 21 13.473 18.583 17.055 1.00 59.40 C +ATOM 17 CG2 ILE A 21 15.316 19.871 15.981 1.00 42.96 C +ATOM 18 CD1 ILE A 21 12.965 19.916 17.534 1.00 66.67 C +ATOM 19 H ILE A 21 15.632 16.171 17.487 1.00 34.44 H +ATOM 20 HA ILE A 21 14.589 17.285 15.111 1.00 32.54 H +ATOM 21 HB ILE A 21 15.492 18.533 17.491 1.00 41.67 H +ATOM 22 HG12 ILE A 21 12.941 18.306 16.278 1.00 55.59 H +ATOM 23 HG13 ILE A 21 13.339 17.918 17.762 1.00 56.03 H +ATOM 24 HG21 ILE A 21 14.761 19.985 15.190 1.00 42.31 H +ATOM 25 HG22 ILE A 21 16.252 19.852 15.718 1.00 42.15 H +ATOM 26 HG23 ILE A 21 15.173 20.618 16.586 1.00 42.60 H +ATOM 27 HD11 ILE A 21 12.919 20.538 16.787 1.00 63.99 H +ATOM 28 HD12 ILE A 21 13.565 20.269 18.214 1.00 64.09 H +ATOM 29 HD13 ILE A 21 12.076 19.806 17.914 1.00 64.27 H +ATOM 30 N PHE A 22 16.706 17.867 13.971 1.00 24.78 N +ATOM 31 CA PHE A 22 17.955 18.189 13.287 1.00 27.95 C +ATOM 32 C PHE A 22 18.178 19.700 13.211 1.00 29.47 C +ATOM 33 O PHE A 22 17.348 20.400 12.696 1.00 24.44 O +ATOM 34 CB PHE A 22 17.973 17.564 11.936 1.00 25.37 C +ATOM 35 CG PHE A 22 18.041 16.075 11.915 1.00 28.45 C +ATOM 36 CD1 PHE A 22 19.207 15.413 12.220 1.00 29.84 C +ATOM 37 CD2 PHE A 22 16.879 15.320 11.683 1.00 28.86 C +ATOM 38 CE1 PHE A 22 19.232 14.007 12.200 1.00 37.16 C +ATOM 39 CE2 PHE A 22 16.938 13.932 11.595 1.00 31.04 C +ATOM 40 CZ PHE A 22 18.087 13.291 11.947 1.00 30.75 C +ATOM 41 H PHE A 22 15.923 17.966 13.509 1.00 26.61 H +ATOM 42 HA PHE A 22 18.699 17.799 13.809 1.00 27.08 H +ATOM 43 HB2 PHE A 22 17.166 17.848 11.458 1.00 26.68 H +ATOM 44 HB3 PHE A 22 18.745 17.918 11.447 1.00 26.67 H +ATOM 45 HD1 PHE A 22 19.991 15.901 12.415 1.00 30.99 H +ATOM 46 HD2 PHE A 22 16.079 15.765 11.450 1.00 29.27 H +ATOM 47 HE1 PHE A 22 20.035 13.552 12.401 1.00 33.68 H +ATOM 48 HE2 PHE A 22 16.151 13.438 11.442 1.00 30.56 H +ATOM 49 HZ PHE A 22 18.122 12.348 11.919 1.00 32.32 H +ATOM 50 N ARG A 23 19.388 20.127 13.637 1.00 23.94 N +ATOM 51 CA ARG A 23 19.838 21.502 13.568 1.00 24.48 C +ATOM 52 C ARG A 23 21.060 21.599 12.649 1.00 23.80 C +ATOM 53 O ARG A 23 21.688 20.616 12.433 1.00 25.44 O +ATOM 54 CB ARG A 23 20.130 22.004 14.976 1.00 26.56 C +ATOM 55 CG ARG A 23 18.874 22.225 15.837 1.00 23.56 C +ATOM 56 CD ARG A 23 19.195 22.743 17.233 1.00 31.65 C +ATOM 57 NE ARG A 23 17.950 22.916 17.991 1.00 28.72 N +ATOM 58 CZ ARG A 23 17.028 23.856 17.760 1.00 32.45 C +ATOM 59 NH1 ARG A 23 17.245 24.834 16.903 1.00 31.95 N +ATOM 60 NH2 ARG A 23 15.881 23.797 18.371 1.00 36.05 N +ATOM 61 H ARG A 23 19.961 19.510 13.992 1.00 25.32 H +ATOM 62 HA ARG A 23 19.114 22.045 13.184 1.00 24.65 H +ATOM 63 HB2 ARG A 23 20.710 21.353 15.425 1.00 25.37 H +ATOM 64 HB3 ARG A 23 20.621 22.849 14.911 1.00 25.37 H +ATOM 65 HG2 ARG A 23 18.286 22.868 15.387 1.00 25.97 H +ATOM 66 HG3 ARG A 23 18.386 21.378 15.918 1.00 25.91 H +ATOM 67 HD2 ARG A 23 19.775 22.101 17.696 1.00 28.95 H +ATOM 68 HD3 ARG A 23 19.670 23.598 17.171 1.00 28.98 H +ATOM 69 HE ARG A 23 17.800 22.363 18.648 1.00 30.31 H +ATOM 70 HH11 ARG A 23 18.050 24.962 16.571 1.00 32.01 H +ATOM 71 HH12 ARG A 23 16.581 25.361 16.662 1.00 32.13 H +ATOM 72 HH21 ARG A 23 15.282 24.428 18.242 1.00 34.83 H +ATOM 73 HH22 ARG A 23 15.706 23.127 18.913 1.00 34.79 H +ATOM 74 N CYS A 24 21.344 22.819 12.134 1.00 25.68 N +ATOM 75 CA CYS A 24 22.585 23.074 11.428 1.00 24.09 C +ATOM 76 C CYS A 24 23.750 22.858 12.405 1.00 31.96 C +ATOM 77 O CYS A 24 23.710 23.443 13.462 1.00 27.26 O +ATOM 78 CB CYS A 24 22.569 24.480 10.874 1.00 23.98 C +ATOM 79 SG CYS A 24 24.176 24.945 10.098 1.00 26.38 S +ATOM 80 H CYS A 24 20.741 23.499 12.232 1.00 24.85 H +ATOM 81 HA CYS A 24 22.661 22.435 10.684 1.00 25.66 H +ATOM 82 HB2 CYS A 24 21.861 24.556 10.202 1.00 24.44 H +ATOM 83 HB3 CYS A 24 22.374 25.112 11.596 1.00 24.44 H +ATOM 84 N ARG A 25 24.733 21.984 12.088 1.00 23.69 N +ATOM 85 CA ARG A 25 25.846 21.716 12.997 1.00 26.65 C +ATOM 86 C ARG A 25 26.673 22.977 13.275 1.00 27.75 C +ATOM 87 O ARG A 25 27.400 22.972 14.303 1.00 30.17 O +ATOM 88 CB ARG A 25 26.791 20.558 12.553 1.00 30.98 C +ATOM 89 H ARG A 25 24.704 21.547 11.286 1.00 26.13 H +ATOM 90 HA ARG A 25 25.445 21.444 13.854 1.00 26.99 H +ATOM 91 HB2 ARG A 25 27.063 20.717 11.625 1.00 29.66 H +ATOM 92 N GLN A 26 26.693 23.925 12.358 1.00 29.11 N +ATOM 93 CA GLN A 26 27.526 25.115 12.504 1.00 34.61 C +ATOM 94 C GLN A 26 26.919 26.191 13.406 1.00 36.64 C +ATOM 95 O GLN A 26 27.615 26.805 14.182 1.00 36.41 O +ATOM 96 CB GLN A 26 27.801 25.687 11.129 1.00 39.36 C +ATOM 97 CG GLN A 26 28.640 24.719 10.303 1.00 53.24 C +ATOM 98 CD GLN A 26 29.946 24.402 10.992 1.00 63.62 C +ATOM 99 OE1 GLN A 26 30.294 23.234 11.152 1.00 85.34 O +ATOM 100 NE2 GLN A 26 30.652 25.437 11.438 1.00 70.79 N +ATOM 101 H GLN A 26 26.185 23.836 11.603 1.00 29.99 H +ATOM 102 HA GLN A 26 28.382 24.837 12.901 1.00 34.69 H +ATOM 103 HB2 GLN A 26 26.948 25.853 10.675 1.00 40.84 H +ATOM 104 HB3 GLN A 26 28.271 26.539 11.222 1.00 41.26 H +ATOM 105 HG2 GLN A 26 28.138 23.889 10.162 1.00 51.65 H +ATOM 106 HG3 GLN A 26 28.824 25.115 9.425 1.00 51.75 H +ATOM 107 HE21 GLN A 26 30.545 26.237 11.075 1.00 67.84 H +ATOM 108 HE22 GLN A 26 31.237 25.323 12.094 1.00 68.40 H +ATOM 109 N CYS A 27 25.620 26.375 13.385 1.00 26.21 N +ATOM 110 CA CYS A 27 25.050 27.526 14.055 1.00 28.44 C +ATOM 111 C CYS A 27 23.839 27.150 14.919 1.00 30.93 C +ATOM 112 O CYS A 27 23.327 28.020 15.601 1.00 30.98 O +ATOM 113 CB CYS A 27 24.737 28.569 13.032 1.00 27.18 C +ATOM 114 SG CYS A 27 23.279 28.099 12.051 1.00 30.11 S +ATOM 115 H CYS A 27 25.076 25.802 12.926 1.00 28.98 H +ATOM 116 HA CYS A 27 25.739 27.895 14.654 1.00 28.28 H +ATOM 117 HB2 CYS A 27 24.561 29.424 13.476 1.00 28.01 H +ATOM 118 HB3 CYS A 27 25.502 28.683 12.433 1.00 28.00 H +ATOM 119 N GLY A 28 23.237 25.947 14.745 1.00 30.01 N +ATOM 120 CA GLY A 28 22.065 25.586 15.502 1.00 30.27 C +ATOM 121 C GLY A 28 20.689 25.927 14.935 1.00 29.99 C +ATOM 122 O GLY A 28 19.680 25.608 15.567 1.00 29.02 O +ATOM 123 H GLY A 28 23.571 25.350 14.140 1.00 30.24 H +ATOM 124 HA2 GLY A 28 22.098 24.608 15.656 1.00 30.15 H +ATOM 125 HA3 GLY A 28 22.137 26.007 16.393 1.00 30.15 H +ATOM 126 N GLN A 29 20.629 26.473 13.749 1.00 28.26 N +ATOM 127 CA GLN A 29 19.366 26.721 13.076 1.00 25.04 C +ATOM 128 C GLN A 29 18.544 25.447 13.007 1.00 28.70 C +ATOM 129 O GLN A 29 19.061 24.403 12.685 1.00 26.46 O +ATOM 130 CB GLN A 29 19.652 27.258 11.687 1.00 31.73 C +ATOM 131 CG GLN A 29 18.394 27.380 10.810 1.00 30.65 C +ATOM 132 CD GLN A 29 17.756 28.739 10.982 1.00 34.55 C +ATOM 133 OE1 GLN A 29 17.564 29.237 12.084 1.00 31.53 O +ATOM 134 NE2 GLN A 29 17.506 29.415 9.870 1.00 39.65 N +ATOM 135 H GLN A 29 21.404 26.711 13.327 1.00 27.97 H +ATOM 136 HA GLN A 29 18.867 27.399 13.586 1.00 27.44 H +ATOM 137 HB2 GLN A 29 20.073 28.139 11.774 1.00 29.83 H +ATOM 138 HB3 GLN A 29 20.293 26.661 11.247 1.00 29.80 H +ATOM 139 HG2 GLN A 29 18.641 27.252 9.869 1.00 31.81 H +ATOM 140 HG3 GLN A 29 17.750 26.686 11.052 1.00 31.64 H +ATOM 141 HE21 GLN A 29 17.687 29.059 9.082 1.00 37.80 H +ATOM 142 HE22 GLN A 29 17.155 30.226 9.915 1.00 37.90 H +ATOM 143 N THR A 30 17.289 25.538 13.383 1.00 24.37 N +ATOM 144 CA THR A 30 16.339 24.436 13.247 1.00 29.04 C +ATOM 145 C THR A 30 16.103 24.058 11.786 1.00 30.30 C +ATOM 146 O THR A 30 15.803 24.941 11.007 1.00 27.52 O +ATOM 147 CB THR A 30 14.993 24.768 13.889 1.00 37.65 C +ATOM 148 OG1 THR A 30 15.253 25.513 15.079 1.00 42.88 O +ATOM 149 CG2 THR A 30 14.296 23.456 14.165 1.00 32.85 C +ATOM 150 H THR A 30 16.993 26.323 13.747 1.00 26.42 H +ATOM 151 HA THR A 30 16.721 23.656 13.711 1.00 29.65 H +ATOM 152 HB THR A 30 14.455 25.310 13.264 1.00 35.85 H +ATOM 153 HG21 THR A 30 13.442 23.628 14.601 1.00 34.20 H +ATOM 154 HG22 THR A 30 14.851 22.908 14.748 1.00 34.17 H +ATOM 155 HG23 THR A 30 14.141 22.985 13.328 1.00 34.18 H +ATOM 156 N ILE A 31 16.291 22.778 11.415 1.00 25.24 N +ATOM 157 CA ILE A 31 16.217 22.414 10.008 1.00 24.27 C +ATOM 158 C ILE A 31 15.150 21.336 9.790 1.00 28.66 C +ATOM 159 O ILE A 31 14.334 21.483 8.901 1.00 28.07 O +ATOM 160 CB ILE A 31 17.569 21.919 9.439 1.00 23.09 C +ATOM 161 CG1 ILE A 31 18.683 22.950 9.589 1.00 28.27 C +ATOM 162 CG2 ILE A 31 17.371 21.559 7.970 1.00 23.40 C +ATOM 163 CD1 ILE A 31 18.456 24.261 8.794 1.00 27.19 C +ATOM 164 H ILE A 31 16.465 22.133 12.040 1.00 26.19 H +ATOM 165 HA ILE A 31 15.953 23.200 9.505 1.00 25.08 H +ATOM 166 HB ILE A 31 17.833 21.101 9.930 1.00 24.26 H +ATOM 167 HG12 ILE A 31 18.779 23.172 10.538 1.00 26.74 H +ATOM 168 HG13 ILE A 31 19.525 22.546 9.290 1.00 26.75 H +ATOM 169 HG21 ILE A 31 16.902 22.282 7.516 1.00 23.37 H +ATOM 170 HG22 ILE A 31 16.848 20.741 7.899 1.00 23.36 H +ATOM 171 HG23 ILE A 31 18.238 21.423 7.548 1.00 23.34 H +ATOM 172 HD11 ILE A 31 17.624 24.677 9.078 1.00 27.45 H +ATOM 173 HD12 ILE A 31 18.410 24.064 7.843 1.00 27.43 H +ATOM 174 HD13 ILE A 31 19.194 24.873 8.960 1.00 27.48 H +ATOM 175 N SER A 32 15.246 20.180 10.488 1.00 29.71 N +ATOM 176 CA SER A 32 14.296 19.113 10.183 1.00 29.36 C +ATOM 177 C SER A 32 14.031 18.265 11.416 1.00 30.83 C +ATOM 178 O SER A 32 14.394 18.673 12.538 1.00 26.15 O +ATOM 179 CB SER A 32 14.686 18.359 8.911 1.00 31.41 C +ATOM 180 OG SER A 32 13.615 17.583 8.415 1.00 34.98 O +ATOM 181 H SER A 32 15.885 20.061 11.131 1.00 29.36 H +ATOM 182 HA SER A 32 13.433 19.564 9.981 1.00 30.05 H +ATOM 183 HB2 SER A 32 14.966 19.004 8.222 1.00 31.72 H +ATOM 184 HB3 SER A 32 15.451 17.771 9.104 1.00 31.74 H +ATOM 185 N ARG A 33 13.421 17.079 11.187 1.00 31.07 N +ATOM 186 CA ARG A 33 13.035 16.213 12.276 1.00 38.49 C +ATOM 187 C ARG A 33 13.131 14.780 11.777 1.00 38.12 C +ATOM 188 O ARG A 33 12.882 14.500 10.581 1.00 30.03 O +ATOM 189 CB ARG A 33 11.572 16.442 12.661 1.00 37.16 C +ATOM 190 CG ARG A 33 11.152 17.876 12.902 1.00 46.26 C +ATOM 191 CD ARG A 33 9.700 17.859 13.492 1.00 51.64 C +ATOM 192 NE ARG A 33 9.696 17.944 14.933 1.00 70.31 N +ATOM 193 H ARG A 33 13.238 16.820 10.330 1.00 32.57 H +ATOM 194 HA ARG A 33 13.626 16.350 13.051 1.00 36.53 H +ATOM 195 HB2 ARG A 33 11.008 16.074 11.949 1.00 39.49 H +ATOM 196 HB3 ARG A 33 11.389 15.928 13.475 1.00 39.48 H +ATOM 197 HG2 ARG A 33 11.765 18.306 13.537 1.00 45.10 H +ATOM 198 HG3 ARG A 33 11.163 18.378 12.059 1.00 44.95 H +ATOM 199 HD2 ARG A 33 9.196 18.617 13.127 1.00 54.20 H +ATOM 200 HD3 ARG A 33 9.245 17.034 13.215 1.00 54.09 H +ATOM 201 HE ARG A 33 10.380 17.611 15.364 1.00 63.65 H +ATOM 202 N ARG A 34 13.455 13.866 12.702 1.00 33.46 N +ATOM 203 CA ARG A 34 13.577 12.467 12.342 1.00 37.57 C +ATOM 204 C ARG A 34 12.211 11.947 11.781 1.00 32.35 C +ATOM 205 O ARG A 34 12.188 11.156 10.871 1.00 34.09 O +ATOM 206 CB ARG A 34 14.049 11.668 13.572 1.00 49.40 C +ATOM 207 CG ARG A 34 14.294 10.187 13.292 1.00 55.26 C +ATOM 208 CD ARG A 34 15.217 9.487 14.293 1.00 58.27 C +ATOM 209 NE ARG A 34 16.672 9.711 14.148 1.00 52.15 N +ATOM 210 CZ ARG A 34 17.488 9.064 13.321 1.00 53.47 C +ATOM 211 NH1 ARG A 34 17.136 7.941 12.717 1.00 64.17 N +ATOM 212 NH2 ARG A 34 18.696 9.533 13.095 1.00 64.14 N +ATOM 213 H ARG A 34 13.599 14.119 13.569 1.00 35.54 H +ATOM 214 HA ARG A 34 14.256 12.388 11.634 1.00 37.55 H +ATOM 215 HB2 ARG A 34 14.880 12.069 13.904 1.00 47.62 H +ATOM 216 HB3 ARG A 34 13.373 11.750 14.276 1.00 47.62 H +ATOM 217 HG2 ARG A 34 13.431 9.720 13.287 1.00 54.51 H +ATOM 218 HG3 ARG A 34 14.683 10.095 12.396 1.00 54.52 H +ATOM 219 HD2 ARG A 34 14.956 9.774 15.194 1.00 56.10 H +ATOM 220 HD3 ARG A 34 15.046 8.523 14.243 1.00 56.17 H +ATOM 221 HE ARG A 34 17.029 10.324 14.653 1.00 53.93 H +ATOM 222 HH11 ARG A 34 16.367 7.558 12.907 1.00 60.61 H +ATOM 223 HH12 ARG A 34 17.674 7.575 12.123 1.00 60.68 H +ATOM 224 HH21 ARG A 34 19.329 8.993 12.805 1.00 60.64 H +ATOM 225 HH22 ARG A 34 18.868 10.385 13.232 1.00 60.47 H +ATOM 226 N ASP A 35 11.107 12.431 12.346 1.00 33.78 N +ATOM 227 CA ASP A 35 9.780 12.078 11.918 1.00 39.41 C +ATOM 228 C ASP A 35 9.558 12.414 10.445 1.00 42.75 C +ATOM 229 O ASP A 35 8.626 11.894 9.886 1.00 34.20 O +ATOM 230 CB ASP A 35 8.720 12.769 12.763 1.00 36.68 C +ATOM 231 CG ASP A 35 8.471 12.136 14.123 1.00 44.03 C +ATOM 232 OD1 ASP A 35 9.031 11.112 14.410 1.00 47.97 O +ATOM 233 OD2 ASP A 35 7.788 12.740 14.910 1.00 55.24 O +ATOM 234 H ASP A 35 11.193 13.009 13.049 1.00 34.71 H +ATOM 235 HA ASP A 35 9.674 11.104 12.030 1.00 38.39 H +ATOM 236 HB2 ASP A 35 8.987 13.700 12.905 1.00 38.85 H +ATOM 237 HB3 ASP A 35 7.873 12.769 12.273 1.00 38.87 H +ATOM 238 N TRP A 36 10.388 13.279 9.820 1.00 35.33 N +ATOM 239 CA TRP A 36 10.163 13.744 8.468 1.00 33.24 C +ATOM 240 C TRP A 36 11.055 13.049 7.461 1.00 31.88 C +ATOM 241 O TRP A 36 11.045 13.394 6.276 1.00 30.82 O +ATOM 242 CB TRP A 36 10.304 15.267 8.347 1.00 37.11 C +ATOM 243 CG TRP A 36 9.322 16.032 9.154 1.00 28.53 C +ATOM 244 CD1 TRP A 36 8.228 15.576 9.804 1.00 30.26 C +ATOM 245 CD2 TRP A 36 9.409 17.418 9.487 1.00 31.16 C +ATOM 246 NE1 TRP A 36 7.560 16.591 10.409 1.00 36.97 N +ATOM 247 CE2 TRP A 36 8.289 17.731 10.304 1.00 37.99 C +ATOM 248 CE3 TRP A 36 10.306 18.414 9.151 1.00 37.03 C +ATOM 249 CZ2 TRP A 36 7.992 19.026 10.734 1.00 39.51 C +ATOM 250 CZ3 TRP A 36 10.030 19.697 9.563 1.00 38.27 C +ATOM 251 CH2 TRP A 36 8.908 19.985 10.390 1.00 42.53 C +ATOM 252 H TRP A 36 11.113 13.603 10.270 1.00 36.39 H +ATOM 253 HA TRP A 36 9.232 13.526 8.239 1.00 34.07 H +ATOM 254 HB2 TRP A 36 11.209 15.515 8.624 1.00 34.03 H +ATOM 255 HB3 TRP A 36 10.201 15.513 7.405 1.00 34.00 H +ATOM 256 HD1 TRP A 36 7.912 14.686 9.768 1.00 31.52 H +ATOM 257 HE1 TRP A 36 6.835 16.497 10.894 1.00 35.49 H +ATOM 258 HE3 TRP A 36 11.046 18.231 8.596 1.00 35.82 H +ATOM 259 HZ2 TRP A 36 7.247 19.214 11.279 1.00 39.66 H +ATOM 260 HZ3 TRP A 36 10.645 20.386 9.368 1.00 38.79 H +ATOM 261 HH2 TRP A 36 8.776 20.868 10.688 1.00 40.63 H +ATOM 262 N LEU A 37 11.814 12.058 7.912 1.00 32.76 N +ATOM 263 CA LEU A 37 12.663 11.291 7.026 1.00 31.25 C +ATOM 264 C LEU A 37 11.784 10.577 6.021 1.00 41.72 C +ATOM 265 O LEU A 37 10.692 10.160 6.356 1.00 34.78 O +ATOM 266 CB LEU A 37 13.482 10.293 7.818 1.00 40.55 C +ATOM 267 CG LEU A 37 14.749 10.833 8.458 1.00 35.53 C +ATOM 268 CD1 LEU A 37 15.300 9.768 9.377 1.00 40.96 C +ATOM 269 CD2 LEU A 37 15.769 11.138 7.356 1.00 33.99 C +ATOM 270 H LEU A 37 11.809 11.852 8.803 1.00 32.40 H +ATOM 271 HA LEU A 37 13.258 11.911 6.549 1.00 34.89 H +ATOM 272 HB2 LEU A 37 12.913 9.921 8.521 1.00 37.02 H +ATOM 273 HB3 LEU A 37 13.728 9.558 7.222 1.00 37.03 H +ATOM 274 HG LEU A 37 14.548 11.654 8.971 1.00 37.08 H +ATOM 275 HD11 LEU A 37 16.004 10.149 9.929 1.00 39.25 H +ATOM 276 HD12 LEU A 37 15.664 9.038 8.846 1.00 39.22 H +ATOM 277 HD13 LEU A 37 14.588 9.430 9.948 1.00 39.25 H +ATOM 278 HD21 LEU A 37 15.438 11.859 6.795 1.00 34.45 H +ATOM 279 HD22 LEU A 37 15.908 10.342 6.813 1.00 34.48 H +ATOM 280 HD23 LEU A 37 16.612 11.405 7.761 1.00 34.52 H +ATOM 281 N LEU A 38 12.242 10.482 4.790 1.00 38.82 N +ATOM 282 CA LEU A 38 11.472 9.927 3.676 1.00 40.73 C +ATOM 283 C LEU A 38 12.265 8.837 2.945 1.00 47.22 C +ATOM 284 O LEU A 38 13.264 9.153 2.315 1.00 44.82 O +ATOM 285 CB LEU A 38 11.232 11.075 2.686 1.00 35.71 C +ATOM 286 CG LEU A 38 10.660 10.651 1.324 1.00 39.81 C +ATOM 287 CD1 LEU A 38 9.274 10.067 1.485 1.00 42.45 C +ATOM 288 CD2 LEU A 38 10.643 11.857 0.432 1.00 44.75 C +ATOM 289 H LEU A 38 13.090 10.777 4.619 1.00 39.81 H +ATOM 290 HA LEU A 38 10.620 9.584 4.006 1.00 40.86 H +ATOM 291 HB2 LEU A 38 10.617 11.713 3.097 1.00 37.73 H +ATOM 292 HB3 LEU A 38 12.081 11.537 2.537 1.00 37.82 H +ATOM 293 HG LEU A 38 11.250 9.968 0.922 1.00 40.51 H +ATOM 294 HD11 LEU A 38 8.999 9.651 0.649 1.00 41.68 H +ATOM 295 HD12 LEU A 38 8.648 10.776 1.714 1.00 41.68 H +ATOM 296 HD13 LEU A 38 9.279 9.399 2.191 1.00 41.76 H +ATOM 297 HD21 LEU A 38 11.551 12.186 0.313 1.00 43.17 H +ATOM 298 HD22 LEU A 38 10.097 12.553 0.836 1.00 43.20 H +ATOM 299 HD23 LEU A 38 10.271 11.616 -0.434 1.00 43.20 H +ATOM 300 N APRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 301 N BPRO A 39 11.848 7.550 2.979 0.08 49.22 N +ATOM 302 N CPRO A 39 11.850 7.548 2.986 0.33 50.78 N +ATOM 303 N DPRO A 39 11.851 7.546 2.990 0.50 50.36 N +ATOM 304 CA APRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 305 CA BPRO A 39 12.548 6.504 2.233 0.08 50.62 C +ATOM 306 CA CPRO A 39 12.541 6.506 2.231 0.33 51.13 C +ATOM 307 CA DPRO A 39 12.535 6.508 2.226 0.50 49.51 C +ATOM 308 C APRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 309 C BPRO A 39 12.310 6.553 0.726 0.08 52.04 C +ATOM 310 C CPRO A 39 12.306 6.565 0.728 0.33 51.53 C +ATOM 311 C DPRO A 39 12.300 6.578 0.727 0.50 49.59 C +ATOM 312 O APRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 313 O BPRO A 39 11.333 5.993 0.240 0.08 56.55 O +ATOM 314 O CPRO A 39 11.318 6.028 0.247 0.33 65.98 O +ATOM 315 O DPRO A 39 11.294 6.079 0.250 0.50 68.72 O +ATOM 316 CB APRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 317 CB BPRO A 39 11.961 5.216 2.828 0.08 51.64 C +ATOM 318 CB CPRO A 39 11.937 5.210 2.795 0.33 55.88 C +ATOM 319 CB DPRO A 39 11.917 5.207 2.766 0.50 56.50 C +ATOM 320 CG APRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 321 CG BPRO A 39 10.566 5.603 3.254 0.08 50.58 C +ATOM 322 CG CPRO A 39 10.562 5.605 3.265 0.33 53.07 C +ATOM 323 CG DPRO A 39 10.557 5.608 3.268 0.50 52.82 C +ATOM 324 CD APRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 325 CD BPRO A 39 10.698 7.031 3.740 0.08 49.66 C +ATOM 326 CD CPRO A 39 10.706 7.031 3.759 0.33 50.67 C +ATOM 327 CD DPRO A 39 10.710 7.031 3.770 0.50 49.61 C +ATOM 328 HA APRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 329 HA BPRO A 39 13.516 6.549 2.431 0.08 50.71 H +ATOM 330 HA CPRO A 39 13.509 6.537 2.431 0.33 51.87 H +ATOM 331 HA DPRO A 39 13.503 6.528 2.428 0.50 50.81 H +ATOM 332 HB2APRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 333 HB2BPRO A 39 11.936 4.499 2.158 0.08 51.17 H +ATOM 334 HB2CPRO A 39 11.882 4.518 2.101 0.33 54.15 H +ATOM 335 HB2DPRO A 39 11.841 4.535 2.056 0.50 54.03 H +ATOM 336 HB3APRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 337 HB3BPRO A 39 12.489 4.912 3.597 0.08 51.17 H +ATOM 338 HB3CPRO A 39 12.475 4.868 3.540 0.33 54.15 H +ATOM 339 HB3DPRO A 39 12.461 4.838 3.494 0.50 54.03 H +ATOM 340 HG2APRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 341 HG2BPRO A 39 9.944 5.549 2.500 0.08 50.61 H +ATOM 342 HG2CPRO A 39 9.917 5.557 2.530 0.33 53.14 H +ATOM 343 HG2DPRO A 39 9.897 5.566 2.546 0.50 52.89 H +ATOM 344 HG3APRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 345 HG3BPRO A 39 10.246 5.019 3.972 0.08 50.61 H +ATOM 346 HG3CPRO A 39 10.261 5.017 3.988 0.33 53.14 H +ATOM 347 HG3DPRO A 39 10.268 5.016 3.992 0.50 52.88 H +ATOM 348 HD2APRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 349 HD2BPRO A 39 9.891 7.541 3.547 0.08 49.59 H +ATOM 350 HD2CPRO A 39 9.899 7.546 3.578 0.33 51.05 H +ATOM 351 HD2DPRO A 39 9.903 7.550 3.597 0.50 50.36 H +ATOM 352 HD3APRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 353 HD3BPRO A 39 10.871 7.061 4.699 0.08 49.73 H +ATOM 354 HD3CPRO A 39 10.891 7.055 4.716 0.33 51.19 H +ATOM 355 HD3DPRO A 39 10.902 7.049 4.725 0.50 50.46 H +ATOM 356 N MET A 40 13.225 7.208 0.002 1.00 54.37 N +ATOM 357 CA MET A 40 13.134 7.323 -1.454 1.00 52.92 C +ATOM 358 C MET A 40 13.782 6.079 -2.045 1.00 59.98 C +ATOM 359 O MET A 40 14.918 5.761 -1.716 1.00 54.49 O +ATOM 360 CB MET A 40 13.863 8.558 -2.001 1.00 49.99 C +ATOM 361 CG MET A 40 13.135 9.834 -1.736 1.00 52.66 C +ATOM 362 SD MET A 40 11.762 10.184 -2.866 1.00 52.84 S +ATOM 363 CE MET A 40 12.766 10.099 -4.363 1.00 51.40 C +ATOM 364 H MET A 40 13.937 7.595 0.424 1.00 52.38 H +ATOM 365 HA MET A 40 12.186 7.356 -1.721 1.00 54.01 H +ATOM 366 HB2 MET A 40 14.748 8.606 -1.588 1.00 51.27 H +ATOM 367 HB3 MET A 40 13.990 8.449 -2.961 1.00 51.31 H +ATOM 368 HG2 MET A 40 12.784 9.812 -0.821 1.00 51.94 H +ATOM 369 HG3 MET A 40 13.774 10.577 -1.788 1.00 52.01 H +ATOM 370 HE1 MET A 40 13.589 10.588 -4.226 1.00 51.75 H +ATOM 371 HE2 MET A 40 12.966 9.177 -4.567 1.00 51.74 H +ATOM 372 HE3 MET A 40 12.276 10.492 -5.098 1.00 51.75 H +ATOM 373 N GLY A 41 13.046 5.360 -2.893 1.00 54.85 N +ATOM 374 CA GLY A 41 13.484 4.059 -3.396 1.00 64.91 C +ATOM 375 C GLY A 41 13.826 3.032 -2.305 1.00 65.17 C +ATOM 376 O GLY A 41 14.745 2.240 -2.485 1.00 74.67 O +ATOM 377 H GLY A 41 12.239 5.687 -3.172 1.00 58.12 H +ATOM 378 HA2 GLY A 41 12.769 3.688 -3.971 1.00 62.41 H +ATOM 379 HA3 GLY A 41 14.281 4.196 -3.967 1.00 62.41 H +ATOM 380 N GLY A 42 13.118 3.046 -1.167 1.00 55.74 N +ATOM 381 CA GLY A 42 13.376 2.049 -0.154 1.00 59.25 C +ATOM 382 C GLY A 42 14.282 2.481 1.007 1.00 63.35 C +ATOM 383 O GLY A 42 14.370 1.783 2.012 1.00 60.69 O +ATOM 384 H GLY A 42 12.473 3.677 -1.025 1.00 58.64 H +ATOM 385 HA2 GLY A 42 12.506 1.761 0.221 1.00 59.29 H +ATOM 386 HA3 GLY A 42 13.776 1.254 -0.587 1.00 59.39 H +ATOM 387 N ASP A 43 14.928 3.641 0.940 1.00 52.81 N +ATOM 388 CA ASP A 43 15.831 3.996 2.028 1.00 54.39 C +ATOM 389 C ASP A 43 15.958 5.510 2.124 1.00 48.29 C +ATOM 390 O ASP A 43 15.989 6.196 1.101 1.00 48.09 O +ATOM 391 CB ASP A 43 17.239 3.454 1.762 1.00 50.35 C +ATOM 392 CG ASP A 43 18.323 3.538 2.871 1.00 63.66 C +ATOM 393 OD1 ASP A 43 18.179 4.262 3.871 1.00 45.35 O +ATOM 394 OD2 ASP A 43 19.391 2.869 2.727 1.00 69.20 O +ATOM 395 H ASP A 43 14.818 4.208 0.232 1.00 55.47 H +ATOM 396 HA ASP A 43 15.487 3.636 2.879 1.00 52.18 H +ATOM 397 HB2 ASP A 43 17.151 2.509 1.523 1.00 54.09 H +ATOM 398 HB3 ASP A 43 17.595 3.922 0.979 1.00 54.03 H +ATOM 399 N HIS A 44 16.019 6.006 3.351 1.00 43.99 N +ATOM 400 CA HIS A 44 16.145 7.436 3.544 1.00 44.57 C +ATOM 401 C HIS A 44 17.570 7.880 3.207 1.00 46.10 C +ATOM 402 O HIS A 44 17.756 9.025 2.867 1.00 39.05 O +ATOM 403 CB HIS A 44 15.598 7.826 4.911 1.00 41.16 C +ATOM 404 CG HIS A 44 16.514 7.415 6.017 1.00 45.59 C +ATOM 405 ND1 HIS A 44 16.203 6.360 6.824 1.00 54.70 N +ATOM 406 CD2 HIS A 44 17.670 7.904 6.486 1.00 53.43 C +ATOM 407 CE1 HIS A 44 17.159 6.198 7.716 1.00 56.29 C +ATOM 408 NE2 HIS A 44 18.050 7.120 7.515 1.00 51.47 N +ATOM 409 H HIS A 44 15.984 5.454 4.078 1.00 45.20 H +ATOM 410 HA HIS A 44 15.543 7.859 2.883 1.00 44.12 H +ATOM 411 HB2 HIS A 44 15.476 8.800 4.939 1.00 42.91 H +ATOM 412 HB3 HIS A 44 14.724 7.397 5.039 1.00 42.91 H +ATOM 413 HD2 HIS A 44 18.153 8.631 6.143 1.00 51.07 H +ATOM 414 HE1 HIS A 44 17.187 5.534 8.384 1.00 54.65 H +ATOM 415 N GLU A 45 18.562 6.972 3.261 1.00 36.80 N +ATOM 416 CA GLU A 45 19.937 7.341 3.065 1.00 37.14 C +ATOM 417 C GLU A 45 20.424 6.955 1.690 1.00 43.85 C +ATOM 418 O GLU A 45 20.310 5.809 1.310 1.00 47.09 O +ATOM 419 CB GLU A 45 20.803 6.670 4.107 1.00 37.15 C +ATOM 420 CG GLU A 45 22.237 6.955 3.911 1.00 42.42 C +ATOM 421 CD GLU A 45 23.054 6.379 5.068 1.00 53.75 C +ATOM 422 OE1 GLU A 45 23.346 7.108 6.039 1.00 58.13 O +ATOM 423 OE2 GLU A 45 23.337 5.181 5.028 1.00 51.31 O +ATOM 424 H GLU A 45 18.365 6.100 3.445 1.00 39.13 H +ATOM 425 HA GLU A 45 20.018 8.314 3.170 1.00 38.25 H +ATOM 426 HB2 GLU A 45 20.529 6.981 4.995 1.00 38.39 H +ATOM 427 HB3 GLU A 45 20.657 5.701 4.065 1.00 38.33 H +ATOM 428 HG2 GLU A 45 22.547 6.556 3.071 1.00 43.39 H +ATOM 429 HG3 GLU A 45 22.380 7.925 3.865 1.00 43.38 H +ATOM 430 N HIS A 46 21.041 7.899 0.983 1.00 39.13 N +ATOM 431 CA HIS A 46 21.634 7.637 -0.309 1.00 37.72 C +ATOM 432 C HIS A 46 23.052 8.159 -0.341 1.00 43.49 C +ATOM 433 O HIS A 46 23.305 9.291 0.060 1.00 45.55 O +ATOM 434 CB HIS A 46 20.785 8.334 -1.363 1.00 40.45 C +ATOM 435 CG HIS A 46 19.426 7.757 -1.474 1.00 52.76 C +ATOM 436 ND1 HIS A 46 19.010 6.999 -2.556 1.00 50.41 N +ATOM 437 CD2 HIS A 46 18.392 7.791 -0.608 1.00 45.88 C +ATOM 438 CE1 HIS A 46 17.745 6.641 -2.355 1.00 47.97 C +ATOM 439 NE2 HIS A 46 17.375 7.072 -1.150 1.00 47.82 N +ATOM 440 H HIS A 46 21.095 8.746 1.322 1.00 39.86 H +ATOM 441 HA HIS A 46 21.649 6.663 -0.479 1.00 39.56 H +ATOM 442 HB2 HIS A 46 20.711 9.286 -1.131 1.00 42.39 H +ATOM 443 HB3 HIS A 46 21.236 8.263 -2.232 1.00 42.39 H +ATOM 444 HD2 HIS A 46 18.375 8.213 0.228 1.00 47.77 H +ATOM 445 HE1 HIS A 46 17.228 6.110 -2.936 1.00 48.51 H +ATOM 446 N VAL A 47 23.997 7.359 -0.844 1.00 37.79 N +ATOM 447 CA VAL A 47 25.377 7.819 -0.857 1.00 40.60 C +ATOM 448 C VAL A 47 25.715 8.109 -2.304 1.00 39.07 C +ATOM 449 O VAL A 47 25.493 7.249 -3.135 1.00 39.28 O +ATOM 450 CB VAL A 47 26.373 6.821 -0.198 1.00 50.21 C +ATOM 451 CG1 VAL A 47 27.794 7.348 -0.190 1.00 49.76 C +ATOM 452 CG2 VAL A 47 25.941 6.447 1.170 1.00 42.73 C +ATOM 453 H VAL A 47 23.789 6.533 -1.177 1.00 39.70 H +ATOM 454 HA VAL A 47 25.423 8.654 -0.364 1.00 41.27 H +ATOM 455 HB VAL A 47 26.366 5.998 -0.747 1.00 46.75 H +ATOM 456 HG11 VAL A 47 27.819 8.206 0.267 1.00 49.85 H +ATOM 457 HG12 VAL A 47 28.106 7.459 -1.105 1.00 49.76 H +ATOM 458 HG13 VAL A 47 28.372 6.717 0.273 1.00 49.82 H +ATOM 459 HG21 VAL A 47 26.595 5.843 1.564 1.00 44.89 H +ATOM 460 HG22 VAL A 47 25.076 6.004 1.129 1.00 44.83 H +ATOM 461 HG23 VAL A 47 25.870 7.248 1.718 1.00 44.87 H +ATOM 462 N VAL A 48 26.229 9.322 -2.608 1.00 34.66 N +ATOM 463 CA VAL A 48 26.250 9.824 -3.969 1.00 36.07 C +ATOM 464 C VAL A 48 27.524 10.605 -4.151 1.00 35.02 C +ATOM 465 O VAL A 48 28.091 11.018 -3.152 1.00 39.34 O +ATOM 466 CB VAL A 48 24.977 10.677 -4.276 1.00 42.73 C +ATOM 467 CG1 VAL A 48 23.713 9.854 -4.251 1.00 37.69 C +ATOM 468 CG2 VAL A 48 24.787 11.791 -3.303 1.00 35.84 C +ATOM 469 H VAL A 48 26.573 9.844 -1.940 1.00 36.05 H +ATOM 470 HA VAL A 48 26.267 9.065 -4.578 1.00 36.69 H +ATOM 471 HB VAL A 48 25.079 11.065 -5.179 1.00 39.16 H +ATOM 472 HG11 VAL A 48 23.556 9.523 -3.350 1.00 39.10 H +ATOM 473 HG12 VAL A 48 23.803 9.101 -4.862 1.00 39.11 H +ATOM 474 HG13 VAL A 48 22.960 10.405 -4.528 1.00 39.09 H +ATOM 475 HG21 VAL A 48 23.967 12.270 -3.511 1.00 37.79 H +ATOM 476 HG22 VAL A 48 25.541 12.403 -3.357 1.00 37.77 H +ATOM 477 HG23 VAL A 48 24.728 11.429 -2.401 1.00 37.76 H +ATOM 478 N PHE A 49 27.966 10.828 -5.397 1.00 31.72 N +ATOM 479 CA PHE A 49 29.062 11.726 -5.708 1.00 31.41 C +ATOM 480 C PHE A 49 28.696 12.670 -6.831 1.00 37.97 C +ATOM 481 O PHE A 49 27.920 12.344 -7.714 1.00 40.54 O +ATOM 482 CB PHE A 49 30.363 10.993 -6.039 1.00 44.72 C +ATOM 483 CG PHE A 49 30.412 10.171 -7.275 1.00 47.34 C +ATOM 484 CD1 PHE A 49 29.902 8.874 -7.312 1.00 53.43 C +ATOM 485 CD2 PHE A 49 31.077 10.662 -8.396 1.00 52.79 C +ATOM 486 CE1 PHE A 49 30.045 8.106 -8.466 1.00 53.68 C +ATOM 487 CE2 PHE A 49 31.237 9.881 -9.526 1.00 45.98 C +ATOM 488 CZ PHE A 49 30.725 8.611 -9.558 1.00 53.53 C +ATOM 489 H PHE A 49 27.556 10.393 -6.089 1.00 32.45 H +ATOM 490 HA PHE A 49 29.227 12.275 -4.904 1.00 34.80 H +ATOM 491 HB2 PHE A 49 31.076 11.664 -6.090 1.00 41.92 H +ATOM 492 HB3 PHE A 49 30.573 10.409 -5.281 1.00 41.92 H +ATOM 493 HD1 PHE A 49 29.464 8.517 -6.556 1.00 51.95 H +ATOM 494 HD2 PHE A 49 31.464 11.522 -8.366 1.00 49.69 H +ATOM 495 HE1 PHE A 49 29.686 7.233 -8.497 1.00 53.45 H +ATOM 496 HE2 PHE A 49 31.675 10.233 -10.284 1.00 49.25 H +ATOM 497 HZ PHE A 49 30.791 8.100 -10.348 1.00 51.68 H +ATOM 498 N ASN A 50 29.245 13.859 -6.740 1.00 29.29 N +ATOM 499 CA ASN A 50 29.005 14.917 -7.695 1.00 36.20 C +ATOM 500 C ASN A 50 30.151 14.870 -8.731 1.00 35.82 C +ATOM 501 O ASN A 50 31.117 14.077 -8.617 1.00 36.03 O +ATOM 502 CB ASN A 50 28.793 16.241 -6.933 1.00 37.06 C +ATOM 503 CG ASN A 50 30.057 16.876 -6.366 1.00 41.78 C +ATOM 504 OD1 ASN A 50 31.184 16.407 -6.603 1.00 41.01 O +ATOM 505 ND2 ASN A 50 29.910 18.021 -5.735 1.00 33.28 N +ATOM 506 H ASN A 50 29.811 14.027 -6.043 1.00 32.77 H +ATOM 507 HA ASN A 50 28.162 14.716 -8.164 1.00 34.97 H +ATOM 508 HB2 ASN A 50 28.366 16.881 -7.537 1.00 38.02 H +ATOM 509 HB3 ASN A 50 28.172 16.075 -6.195 1.00 37.90 H +ATOM 510 HD21 ASN A 50 29.109 18.389 -5.665 1.00 35.71 H +ATOM 511 HD22 ASN A 50 30.612 18.424 -5.380 1.00 35.73 H +ATOM 512 N PRO A 51 30.093 15.689 -9.769 1.00 37.54 N +ATOM 513 CA PRO A 51 31.156 15.715 -10.774 1.00 43.19 C +ATOM 514 C PRO A 51 32.493 16.253 -10.278 1.00 39.85 C +ATOM 515 O PRO A 51 33.482 16.044 -10.940 1.00 43.12 O +ATOM 516 CB PRO A 51 30.658 16.658 -11.872 1.00 42.82 C +ATOM 517 CG PRO A 51 29.115 16.832 -11.601 1.00 49.71 C +ATOM 518 CD PRO A 51 28.968 16.601 -10.116 1.00 48.11 C +ATOM 519 HA PRO A 51 31.274 14.807 -11.150 1.00 41.33 H +ATOM 520 HB2 PRO A 51 31.116 17.524 -11.824 1.00 44.29 H +ATOM 521 HB3 PRO A 51 30.811 16.270 -12.760 1.00 44.32 H +ATOM 522 HG2 PRO A 51 28.818 17.732 -11.845 1.00 47.80 H +ATOM 523 HG3 PRO A 51 28.596 16.178 -12.110 1.00 47.93 H +ATOM 524 HD2 PRO A 51 29.038 17.441 -9.626 1.00 45.70 H +ATOM 525 HD3 PRO A 51 28.109 16.188 -9.914 1.00 45.59 H +ATOM 526 N ALA A 52 32.555 16.866 -9.089 1.00 43.02 N +ATOM 527 CA ALA A 52 33.817 17.245 -8.491 1.00 35.07 C +ATOM 528 C ALA A 52 34.397 16.151 -7.602 1.00 31.88 C +ATOM 529 O ALA A 52 35.376 16.396 -6.888 1.00 33.55 O +ATOM 530 CB ALA A 52 33.773 18.566 -7.838 1.00 39.33 C +ATOM 531 H ALA A 52 31.783 17.071 -8.646 1.00 40.31 H +ATOM 532 HA ALA A 52 34.450 17.340 -9.239 1.00 36.68 H +ATOM 533 HB1 ALA A 52 34.657 18.795 -7.505 1.00 37.94 H +ATOM 534 HB2 ALA A 52 33.487 19.237 -8.480 1.00 37.98 H +ATOM 535 HB3 ALA A 52 33.146 18.541 -7.096 1.00 37.98 H +ATOM 536 N GLY A 53 33.788 14.980 -7.666 1.00 29.39 N +ATOM 537 CA GLY A 53 34.167 13.777 -6.965 1.00 32.97 C +ATOM 538 C GLY A 53 33.872 13.808 -5.472 1.00 37.77 C +ATOM 539 O GLY A 53 34.277 12.926 -4.722 1.00 33.81 O +ATOM 540 H GLY A 53 33.049 14.924 -8.199 1.00 30.96 H +ATOM 541 HA2 GLY A 53 33.690 13.011 -7.372 1.00 33.07 H +ATOM 542 HA3 GLY A 53 35.137 13.628 -7.097 1.00 33.07 H +ATOM 543 N MET A 54 33.166 14.826 -5.005 1.00 36.51 N +ATOM 544 CA MET A 54 32.808 14.813 -3.591 1.00 39.00 C +ATOM 545 C MET A 54 31.698 13.807 -3.354 1.00 41.15 C +ATOM 546 O MET A 54 30.716 13.776 -4.107 1.00 38.94 O +ATOM 547 CB MET A 54 32.300 16.194 -3.192 1.00 37.25 C +ATOM 548 CG MET A 54 33.267 17.284 -3.370 1.00 54.57 C +ATOM 549 SD MET A 54 32.448 18.846 -3.224 1.00 66.75 S +ATOM 550 CE MET A 54 33.738 19.945 -3.829 1.00 80.04 C +ATOM 551 H MET A 54 32.884 15.507 -5.544 1.00 37.39 H +ATOM 552 HA MET A 54 33.599 14.573 -3.055 1.00 38.48 H +ATOM 553 HB2 MET A 54 31.501 16.393 -3.722 1.00 41.33 H +ATOM 554 HB3 MET A 54 32.029 16.165 -2.253 1.00 41.25 H +ATOM 555 HG2 MET A 54 33.968 17.219 -2.687 1.00 51.55 H +ATOM 556 HG3 MET A 54 33.688 17.218 -4.253 1.00 51.38 H +ATOM 557 HE1 MET A 54 34.512 19.878 -3.256 1.00 76.48 H +ATOM 558 HE2 MET A 54 33.980 19.692 -4.728 1.00 76.48 H +ATOM 559 HE3 MET A 54 33.414 20.854 -3.826 1.00 76.48 H +ATOM 560 N ILE A 55 31.891 12.994 -2.297 1.00 33.52 N +ATOM 561 CA ILE A 55 30.952 11.992 -1.866 1.00 38.97 C +ATOM 562 C ILE A 55 30.097 12.583 -0.716 1.00 38.54 C +ATOM 563 O ILE A 55 30.588 13.344 0.105 1.00 40.53 O +ATOM 564 CB ILE A 55 31.652 10.689 -1.475 1.00 49.27 C +ATOM 565 CG1 ILE A 55 32.288 10.033 -2.711 1.00 71.13 C +ATOM 566 CG2 ILE A 55 30.700 9.718 -0.844 1.00 42.43 C +ATOM 567 CD1 ILE A 55 33.238 8.883 -2.374 1.00 57.98 C +ATOM 568 H ILE A 55 32.667 13.082 -1.822 1.00 36.46 H +ATOM 569 HA ILE A 55 30.361 11.796 -2.612 1.00 39.47 H +ATOM 570 HB ILE A 55 32.369 10.898 -0.827 1.00 49.11 H +ATOM 571 HG12 ILE A 55 31.573 9.693 -3.291 1.00 62.13 H +ATOM 572 HG13 ILE A 55 32.784 10.715 -3.213 1.00 62.18 H +ATOM 573 HG21 ILE A 55 29.972 9.528 -1.462 1.00 44.40 H +ATOM 574 HG22 ILE A 55 30.337 10.099 -0.026 1.00 44.37 H +ATOM 575 HG23 ILE A 55 31.166 8.892 -0.631 1.00 44.54 H +ATOM 576 HD11 ILE A 55 32.737 8.148 -1.979 1.00 61.29 H +ATOM 577 HD12 ILE A 55 33.912 9.191 -1.744 1.00 61.50 H +ATOM 578 HD13 ILE A 55 33.674 8.573 -3.187 1.00 61.50 H +ATOM 579 N PHE A 56 28.787 12.379 -0.791 1.00 41.29 N +ATOM 580 CA PHE A 56 27.838 12.861 0.221 1.00 35.04 C +ATOM 581 C PHE A 56 27.009 11.690 0.651 1.00 34.85 C +ATOM 582 O PHE A 56 26.527 10.868 -0.154 1.00 38.59 O +ATOM 583 CB PHE A 56 26.934 13.980 -0.315 1.00 31.90 C +ATOM 584 CG PHE A 56 27.586 15.213 -0.889 1.00 36.30 C +ATOM 585 CD1 PHE A 56 28.057 16.219 -0.090 1.00 36.83 C +ATOM 586 CD2 PHE A 56 27.879 15.278 -2.248 1.00 36.04 C +ATOM 587 CE1 PHE A 56 28.652 17.317 -0.655 1.00 33.73 C +ATOM 588 CE2 PHE A 56 28.515 16.368 -2.781 1.00 42.21 C +ATOM 589 CZ PHE A 56 28.814 17.432 -2.010 1.00 38.27 C +ATOM 590 H PHE A 56 28.456 11.918 -1.508 1.00 39.12 H +ATOM 591 HA PHE A 56 28.343 13.201 1.003 1.00 35.51 H +ATOM 592 HB2 PHE A 56 26.361 13.591 -1.008 1.00 33.60 H +ATOM 593 HB3 PHE A 56 26.347 14.262 0.417 1.00 33.58 H +ATOM 594 HD1 PHE A 56 27.874 16.206 0.836 1.00 35.98 H +ATOM 595 HD2 PHE A 56 27.598 14.579 -2.816 1.00 37.43 H +ATOM 596 HE1 PHE A 56 28.908 18.036 -0.100 1.00 35.53 H +ATOM 597 HE2 PHE A 56 28.634 16.423 -3.717 1.00 39.63 H +ATOM 598 HZ PHE A 56 29.294 18.161 -2.370 1.00 37.99 H +ATOM 599 N ARG A 57 26.795 11.631 1.969 1.00 32.24 N +ATOM 600 CA ARG A 57 25.767 10.811 2.520 1.00 28.08 C +ATOM 601 C ARG A 57 24.512 11.685 2.713 1.00 30.66 C +ATOM 602 O ARG A 57 24.505 12.544 3.551 1.00 30.34 O +ATOM 603 CB ARG A 57 26.209 10.342 3.889 1.00 35.89 C +ATOM 604 CG ARG A 57 25.315 9.229 4.383 1.00 44.19 C +ATOM 605 H ARG A 57 27.317 12.123 2.535 1.00 31.89 H +ATOM 606 HA ARG A 57 25.577 10.045 1.932 1.00 30.76 H +ATOM 607 HB2 ARG A 57 27.132 10.019 3.837 1.00 35.55 H +ATOM 608 HB3 ARG A 57 26.178 11.092 4.520 1.00 35.51 H +ATOM 609 HG2 ARG A 57 24.475 9.611 4.719 1.00 41.46 H +ATOM 610 N VAL A 58 23.529 11.491 1.863 1.00 33.77 N +ATOM 611 CA VAL A 58 22.357 12.319 1.784 1.00 33.40 C +ATOM 612 C VAL A 58 21.235 11.574 2.516 1.00 34.19 C +ATOM 613 O VAL A 58 21.008 10.363 2.294 1.00 31.77 O +ATOM 614 CB VAL A 58 22.011 12.576 0.326 1.00 30.94 C +ATOM 615 CG1 VAL A 58 20.661 13.242 0.191 1.00 32.72 C +ATOM 616 CG2 VAL A 58 23.043 13.403 -0.400 1.00 36.57 C +ATOM 617 H VAL A 58 23.591 10.783 1.288 1.00 32.85 H +ATOM 618 HA VAL A 58 22.529 13.167 2.228 1.00 33.01 H +ATOM 619 HB VAL A 58 21.959 11.697 -0.125 1.00 32.73 H +ATOM 620 HG11 VAL A 58 20.639 14.045 0.741 1.00 32.17 H +ATOM 621 HG12 VAL A 58 19.963 12.631 0.482 1.00 32.20 H +ATOM 622 HG13 VAL A 58 20.510 13.484 -0.740 1.00 32.22 H +ATOM 623 HG21 VAL A 58 22.768 13.530 -1.325 1.00 34.77 H +ATOM 624 HG22 VAL A 58 23.901 12.945 -0.379 1.00 34.78 H +ATOM 625 HG23 VAL A 58 23.129 14.270 0.034 1.00 34.76 H +ATOM 626 N TRP A 59 20.520 12.304 3.391 1.00 28.92 N +ATOM 627 CA TRP A 59 19.287 11.794 3.987 1.00 27.61 C +ATOM 628 C TRP A 59 18.118 12.543 3.377 1.00 35.26 C +ATOM 629 O TRP A 59 18.174 13.764 3.252 1.00 28.79 O +ATOM 630 CB TRP A 59 19.275 11.944 5.508 1.00 28.90 C +ATOM 631 CG TRP A 59 20.128 10.946 6.190 1.00 37.72 C +ATOM 632 CD1 TRP A 59 21.035 10.098 5.602 1.00 49.06 C +ATOM 633 CD2 TRP A 59 20.193 10.688 7.596 1.00 44.00 C +ATOM 634 NE1 TRP A 59 21.573 9.261 6.530 1.00 40.77 N +ATOM 635 CE2 TRP A 59 21.051 9.569 7.759 1.00 43.81 C +ATOM 636 CE3 TRP A 59 19.449 11.107 8.692 1.00 48.18 C +ATOM 637 CZ2 TRP A 59 21.302 8.986 9.004 1.00 57.28 C +ATOM 638 CZ3 TRP A 59 19.689 10.532 9.924 1.00 62.08 C +ATOM 639 CH2 TRP A 59 20.610 9.489 10.079 1.00 63.68 C +ATOM 640 H TRP A 59 20.808 13.139 3.623 1.00 29.84 H +ATOM 641 HA TRP A 59 19.206 10.838 3.769 1.00 29.68 H +ATOM 642 HB2 TRP A 59 19.585 12.844 5.735 1.00 30.45 H +ATOM 643 HB3 TRP A 59 18.353 11.851 5.824 1.00 30.48 H +ATOM 644 HD1 TRP A 59 21.241 10.072 4.686 1.00 43.76 H +ATOM 645 HE1 TRP A 59 22.187 8.656 6.373 1.00 43.56 H +ATOM 646 HE3 TRP A 59 18.819 11.804 8.603 1.00 49.82 H +ATOM 647 HZ2 TRP A 59 21.937 8.298 9.103 1.00 54.90 H +ATOM 648 HZ3 TRP A 59 19.242 10.864 10.684 1.00 58.12 H +ATOM 649 HH2 TRP A 59 20.774 9.140 10.937 1.00 61.17 H +ATOM 650 N CYS A 60 17.114 11.787 2.892 1.00 30.65 N +ATOM 651 CA CYS A 60 15.963 12.407 2.279 1.00 31.72 C +ATOM 652 C CYS A 60 14.947 12.748 3.350 1.00 26.88 C +ATOM 653 O CYS A 60 14.615 11.897 4.147 1.00 34.99 O +ATOM 654 CB CYS A 60 15.368 11.465 1.243 1.00 29.12 C +ATOM 655 SG CYS A 60 16.573 11.148 -0.064 1.00 37.11 S +ATOM 656 H CYS A 60 17.154 10.876 2.949 1.00 31.87 H +ATOM 657 HA CYS A 60 16.252 13.232 1.829 1.00 30.07 H +ATOM 658 HB2 CYS A 60 15.124 10.619 1.667 1.00 31.19 H +ATOM 659 HB3 CYS A 60 14.564 11.865 0.853 1.00 31.13 H +ATOM 660 N PHE A 61 14.385 13.972 3.246 1.00 29.90 N +ATOM 661 CA PHE A 61 13.334 14.420 4.152 1.00 28.24 C +ATOM 662 C PHE A 61 12.161 14.979 3.348 1.00 29.11 C +ATOM 663 O PHE A 61 12.367 15.486 2.278 1.00 27.74 O +ATOM 664 CB PHE A 61 13.866 15.548 5.009 1.00 28.17 C +ATOM 665 CG PHE A 61 14.890 15.134 6.029 1.00 25.40 C +ATOM 666 CD1 PHE A 61 16.196 15.228 5.673 1.00 28.55 C +ATOM 667 CD2 PHE A 61 14.579 14.902 7.357 1.00 27.26 C +ATOM 668 CE1 PHE A 61 17.192 14.888 6.605 1.00 31.01 C +ATOM 669 CE2 PHE A 61 15.553 14.614 8.298 1.00 37.57 C +ATOM 670 CZ PHE A 61 16.872 14.576 7.892 1.00 35.00 C +ATOM 671 H PHE A 61 14.668 14.540 2.588 1.00 28.81 H +ATOM 672 HA PHE A 61 13.028 13.672 4.722 1.00 28.73 H +ATOM 673 HB2 PHE A 61 14.260 16.225 4.420 1.00 27.53 H +ATOM 674 HB3 PHE A 61 13.111 15.963 5.475 1.00 27.54 H +ATOM 675 HD1 PHE A 61 16.428 15.400 4.773 1.00 28.38 H +ATOM 676 HD2 PHE A 61 13.672 14.896 7.618 1.00 28.98 H +ATOM 677 HE1 PHE A 61 18.097 14.890 6.338 1.00 31.28 H +ATOM 678 HE2 PHE A 61 15.314 14.386 9.182 1.00 34.15 H +ATOM 679 HZ PHE A 61 17.554 14.389 8.516 1.00 34.41 H +ATOM 680 N SER A 62 10.920 14.693 3.807 1.00 27.32 N +ATOM 681 CA SER A 62 9.756 15.217 3.105 1.00 32.46 C +ATOM 682 C SER A 62 9.666 16.724 3.288 1.00 31.28 C +ATOM 683 O SER A 62 9.086 17.372 2.464 1.00 27.67 O +ATOM 684 CB SER A 62 8.513 14.557 3.585 1.00 35.41 C +ATOM 685 OG SER A 62 8.539 13.183 3.244 1.00 37.19 O +ATOM 686 H SER A 62 10.805 14.177 4.553 1.00 28.87 H +ATOM 687 HA SER A 62 9.863 15.023 2.134 1.00 31.66 H +ATOM 688 HB2 SER A 62 8.442 14.656 4.562 1.00 35.12 H +ATOM 689 HB3 SER A 62 7.730 14.987 3.173 1.00 35.10 H +ATOM 690 N LEU A 63 10.245 17.234 4.354 1.00 27.25 N +ATOM 691 CA LEU A 63 10.055 18.599 4.779 1.00 28.59 C +ATOM 692 C LEU A 63 11.305 19.030 5.527 1.00 33.15 C +ATOM 693 O LEU A 63 11.988 18.187 6.132 1.00 28.62 O +ATOM 694 CB LEU A 63 8.866 18.578 5.738 1.00 37.07 C +ATOM 695 CG LEU A 63 8.321 19.945 6.145 1.00 42.90 C +ATOM 696 CD1 LEU A 63 8.105 20.835 4.956 1.00 49.93 C +ATOM 697 CD2 LEU A 63 7.015 19.809 6.910 1.00 48.00 C +ATOM 698 H LEU A 63 10.783 16.698 4.862 1.00 28.52 H +ATOM 699 HA LEU A 63 9.892 19.178 4.002 1.00 30.67 H +ATOM 700 HB2 LEU A 63 8.143 18.072 5.319 1.00 36.02 H +ATOM 701 HB3 LEU A 63 9.131 18.097 6.547 1.00 36.08 H +ATOM 702 HG LEU A 63 8.983 20.378 6.739 1.00 43.82 H +ATOM 703 HD11 LEU A 63 7.870 21.719 5.272 1.00 47.58 H +ATOM 704 HD12 LEU A 63 7.381 20.480 4.411 1.00 47.59 H +ATOM 705 HD13 LEU A 63 8.917 20.887 4.426 1.00 47.21 H +ATOM 706 HD21 LEU A 63 7.159 19.264 7.704 1.00 46.44 H +ATOM 707 HD22 LEU A 63 6.349 19.384 6.343 1.00 46.44 H +ATOM 708 HD23 LEU A 63 6.700 20.690 7.176 1.00 46.44 H +ATOM 709 N ALA A 64 11.582 20.326 5.427 1.00 30.77 N +ATOM 710 CA ALA A 64 12.666 21.006 6.142 1.00 33.06 C +ATOM 711 C ALA A 64 12.256 22.474 6.260 1.00 30.21 C +ATOM 712 O ALA A 64 11.419 22.938 5.520 1.00 31.86 O +ATOM 713 CB ALA A 64 14.012 20.841 5.429 1.00 32.59 C +ATOM 714 H ALA A 64 11.066 20.829 4.866 1.00 31.90 H +ATOM 715 HA ALA A 64 12.734 20.623 7.047 1.00 31.92 H +ATOM 716 HB1 ALA A 64 14.704 21.303 5.931 1.00 32.73 H +ATOM 717 HB2 ALA A 64 14.234 19.896 5.368 1.00 32.73 H +ATOM 718 HB3 ALA A 64 13.955 21.217 4.535 1.00 32.73 H +ATOM 719 N GLN A 65 12.895 23.200 7.145 1.00 25.92 N +ATOM 720 CA GLN A 65 12.694 24.634 7.348 1.00 24.43 C +ATOM 721 C GLN A 65 14.053 25.256 7.606 1.00 23.44 C +ATOM 722 O GLN A 65 15.025 24.507 7.772 1.00 26.97 O +ATOM 723 CB GLN A 65 11.771 24.772 8.569 1.00 27.86 C +ATOM 724 CG GLN A 65 12.396 24.239 9.833 1.00 34.08 C +ATOM 725 CD GLN A 65 11.512 24.229 11.057 1.00 51.97 C +ATOM 726 OE1 GLN A 65 11.139 23.195 11.579 1.00 51.05 O +ATOM 727 NE2 GLN A 65 11.081 25.393 11.488 1.00 53.34 N +ATOM 728 H GLN A 65 13.517 22.780 7.667 1.00 26.69 H +ATOM 729 HA GLN A 65 12.276 25.035 6.553 1.00 25.17 H +ATOM 730 HB2 GLN A 65 11.550 25.718 8.692 1.00 28.34 H +ATOM 731 HB3 GLN A 65 10.938 24.287 8.390 1.00 28.33 H +ATOM 732 HG2 GLN A 65 12.697 23.322 9.670 1.00 35.79 H +ATOM 733 HG3 GLN A 65 13.192 24.774 10.037 1.00 35.81 H +ATOM 734 HE21 GLN A 65 11.320 26.136 11.072 1.00 52.55 H +ATOM 735 HE22 GLN A 65 10.551 25.436 12.195 1.00 52.81 H +ATOM 736 N GLY A 66 14.139 26.580 7.655 1.00 25.63 N +ATOM 737 CA GLY A 66 15.310 27.325 8.095 1.00 24.54 C +ATOM 738 C GLY A 66 16.447 27.333 7.050 1.00 27.11 C +ATOM 739 O GLY A 66 17.559 27.739 7.356 1.00 28.23 O +ATOM 740 H GLY A 66 13.407 27.059 7.391 1.00 24.84 H +ATOM 741 HA2 GLY A 66 15.040 28.258 8.290 1.00 25.45 H +ATOM 742 HA3 GLY A 66 15.645 26.925 8.937 1.00 25.37 H +ATOM 743 N LEU A 67 16.141 26.954 5.832 1.00 30.01 N +ATOM 744 CA LEU A 67 17.049 26.922 4.698 1.00 33.47 C +ATOM 745 C LEU A 67 16.814 28.168 3.856 1.00 37.05 C +ATOM 746 O LEU A 67 15.819 28.834 3.993 1.00 33.51 O +ATOM 747 CB LEU A 67 16.816 25.675 3.844 1.00 29.28 C +ATOM 748 CG LEU A 67 17.064 24.340 4.536 1.00 29.14 C +ATOM 749 CD1 LEU A 67 16.407 23.189 3.802 1.00 31.40 C +ATOM 750 CD2 LEU A 67 18.546 24.067 4.811 1.00 26.40 C +ATOM 751 H LEU A 67 15.278 26.699 5.677 1.00 29.91 H +ATOM 752 HA LEU A 67 17.973 26.928 5.032 1.00 32.44 H +ATOM 753 HB2 LEU A 67 15.893 25.691 3.521 1.00 30.17 H +ATOM 754 HB3 LEU A 67 17.400 25.728 3.061 1.00 30.19 H +ATOM 755 HG LEU A 67 16.623 24.396 5.419 1.00 29.05 H +ATOM 756 HD11 LEU A 67 16.409 22.398 4.369 1.00 30.71 H +ATOM 757 HD12 LEU A 67 16.901 23.001 2.984 1.00 30.71 H +ATOM 758 HD13 LEU A 67 15.490 23.425 3.579 1.00 30.71 H +ATOM 759 HD21 LEU A 67 18.903 24.764 5.388 1.00 27.24 H +ATOM 760 HD22 LEU A 67 19.036 24.059 3.971 1.00 27.20 H +ATOM 761 HD23 LEU A 67 18.641 23.203 5.250 1.00 27.21 H +ATOM 762 N ARG A 68 17.772 28.478 2.974 1.00 30.61 N +ATOM 763 CA ARG A 68 17.539 29.405 1.911 1.00 32.98 C +ATOM 764 C ARG A 68 17.897 28.673 0.625 1.00 32.95 C +ATOM 765 O ARG A 68 19.025 28.230 0.491 1.00 26.55 O +ATOM 766 CB ARG A 68 18.367 30.721 2.099 1.00 35.15 C +ATOM 767 H ARG A 68 18.596 28.091 3.050 1.00 32.53 H +ATOM 768 HA ARG A 68 16.581 29.632 1.894 1.00 32.91 H +ATOM 769 HB2 ARG A 68 19.307 30.481 2.236 1.00 34.51 H +ATOM 770 N ALEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 771 N BLEU A 69 16.935 28.571 -0.307 0.50 32.75 N +ATOM 772 CA ALEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 773 CA BLEU A 69 17.126 27.895 -1.584 0.50 41.05 C +ATOM 774 C ALEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 775 C BLEU A 69 17.620 28.896 -2.624 0.50 41.06 C +ATOM 776 O ALEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 777 O BLEU A 69 17.015 29.950 -2.810 0.50 41.67 O +ATOM 778 CB ALEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 779 CB BLEU A 69 15.795 27.255 -2.016 0.50 35.04 C +ATOM 780 CG ALEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 781 CG BLEU A 69 15.120 26.398 -0.936 0.50 41.24 C +ATOM 782 CD1ALEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 783 CD1BLEU A 69 13.872 25.728 -1.464 0.50 41.92 C +ATOM 784 CD2ALEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 785 CD2BLEU A 69 16.073 25.333 -0.391 0.50 38.17 C +ATOM 786 H ALEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 787 H BLEU A 69 16.118 28.944 -0.136 0.50 34.50 H +ATOM 788 HA ALEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 789 HA BLEU A 69 17.803 27.193 -1.467 0.50 38.02 H +ATOM 790 HB2ALEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 791 HB2BLEU A 69 15.179 27.968 -2.281 0.50 37.69 H +ATOM 792 HB3ALEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 793 HB3BLEU A 69 15.959 26.696 -2.802 0.50 37.69 H +ATOM 794 HG ALEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 795 HG BLEU A 69 14.859 26.991 -0.188 0.50 39.57 H +ATOM 796 HD11ALEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 797 HD11BLEU A 69 13.340 25.398 -0.720 0.50 41.72 H +ATOM 798 HD12ALEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 799 HD12BLEU A 69 14.122 24.983 -2.038 0.50 41.72 H +ATOM 800 HD13ALEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 801 HD13BLEU A 69 13.350 26.370 -1.976 0.50 41.72 H +ATOM 802 HD21ALEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 803 HD21BLEU A 69 16.850 25.764 0.006 0.50 39.04 H +ATOM 804 HD22ALEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 805 HD22BLEU A 69 16.360 24.752 -1.117 0.50 39.04 H +ATOM 806 HD23ALEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 807 HD23BLEU A 69 15.616 24.803 0.285 0.50 39.04 H +ATOM 808 N ILE A 70 18.771 28.622 -3.235 1.00 36.57 N +ATOM 809 CA ILE A 70 19.436 29.645 -4.024 1.00 43.55 C +ATOM 810 C ILE A 70 19.466 29.271 -5.508 1.00 50.39 C +ATOM 811 O ILE A 70 19.596 28.111 -5.880 1.00 39.94 O +ATOM 812 CB ILE A 70 20.823 30.007 -3.485 1.00 49.45 C +ATOM 813 CG1 ILE A 70 21.755 28.824 -3.554 1.00 53.00 C +ATOM 814 CG2 ILE A 70 20.762 30.593 -2.069 1.00 46.58 C +ATOM 815 CD1 ILE A 70 23.136 29.223 -3.830 1.00 53.96 C +ATOM 816 H ILE A 70 19.144 27.790 -3.163 1.00 39.51 H +ATOM 817 HA ILE A 70 18.902 30.454 -3.953 1.00 44.34 H +ATOM 818 HB ILE A 70 21.191 30.707 -4.079 1.00 48.46 H +ATOM 819 HG12 ILE A 70 21.725 28.341 -2.700 1.00 52.29 H +ATOM 820 HG13 ILE A 70 21.455 28.215 -4.258 1.00 52.02 H +ATOM 821 HG21 ILE A 70 20.369 29.942 -1.462 1.00 47.34 H +ATOM 822 HG22 ILE A 70 20.218 31.400 -2.073 1.00 47.39 H +ATOM 823 HG23 ILE A 70 21.661 30.813 -1.769 1.00 47.39 H +ATOM 824 HD11 ILE A 70 23.451 29.812 -3.123 1.00 53.65 H +ATOM 825 HD12 ILE A 70 23.177 29.690 -4.682 1.00 53.62 H +ATOM 826 HD13 ILE A 70 23.702 28.432 -3.867 1.00 53.65 H +ATOM 827 N GLY A 71 19.085 30.263 -6.313 1.00 52.09 N +ATOM 828 CA GLY A 71 19.114 30.126 -7.759 1.00 58.01 C +ATOM 829 C GLY A 71 17.839 29.446 -8.236 1.00 53.23 C +ATOM 830 O GLY A 71 16.874 29.390 -7.479 1.00 49.91 O +ATOM 831 H GLY A 71 18.799 31.052 -5.953 1.00 52.79 H +ATOM 832 HA2 GLY A 71 19.189 31.022 -8.172 1.00 55.45 H +ATOM 833 HA3 GLY A 71 19.901 29.587 -8.025 1.00 55.37 H +ATOM 834 N ALA A 72 17.873 28.899 -9.451 1.00 61.41 N +ATOM 835 CA ALA A 72 16.691 28.313 -10.064 1.00 60.96 C +ATOM 836 C ALA A 72 16.977 26.817 -10.239 1.00 46.81 C +ATOM 837 O ALA A 72 18.128 26.435 -10.355 1.00 46.43 O +ATOM 838 CB ALA A 72 16.386 29.007 -11.385 1.00 68.13 C +ATOM 839 H ALA A 72 18.658 28.892 -9.918 1.00 59.21 H +ATOM 840 HA ALA A 72 15.925 28.425 -9.455 1.00 59.04 H +ATOM 841 HB1 ALA A 72 15.527 28.700 -11.719 1.00 65.93 H +ATOM 842 HB2 ALA A 72 16.353 29.969 -11.247 1.00 65.93 H +ATOM 843 HB3 ALA A 72 17.082 28.797 -12.030 1.00 65.93 H +ATOM 844 N PRO A 73 15.970 25.939 -10.288 1.00 38.90 N +ATOM 845 CA PRO A 73 16.242 24.504 -10.327 1.00 35.66 C +ATOM 846 C PRO A 73 17.035 24.099 -11.548 1.00 35.51 C +ATOM 847 O PRO A 73 16.876 24.673 -12.624 1.00 44.85 O +ATOM 848 CB PRO A 73 14.847 23.865 -10.306 1.00 47.44 C +ATOM 849 CG PRO A 73 13.943 25.002 -9.834 1.00 47.54 C +ATOM 850 CD PRO A 73 14.537 26.262 -10.366 1.00 44.02 C +ATOM 851 HA PRO A 73 16.732 24.244 -9.510 1.00 38.04 H +ATOM 852 HB2 PRO A 73 14.584 23.556 -11.200 1.00 44.46 H +ATOM 853 HB3 PRO A 73 14.814 23.108 -9.683 1.00 44.51 H +ATOM 854 HG2 PRO A 73 13.034 24.881 -10.176 1.00 46.67 H +ATOM 855 HG3 PRO A 73 13.906 25.027 -8.856 1.00 46.62 H +ATOM 856 HD2 PRO A 73 14.258 26.432 -11.285 1.00 43.57 H +ATOM 857 HD3 PRO A 73 14.309 27.028 -9.808 1.00 43.72 H +ATOM 858 N SER A 74 17.786 23.016 -11.421 1.00 33.86 N +ATOM 859 CA SER A 74 18.504 22.446 -12.541 1.00 30.56 C +ATOM 860 C SER A 74 18.375 20.919 -12.511 1.00 33.85 C +ATOM 861 O SER A 74 18.326 20.300 -11.452 1.00 33.41 O +ATOM 862 CB SER A 74 19.989 22.943 -12.505 1.00 41.27 C +ATOM 863 OG SER A 74 20.741 22.070 -13.299 1.00 43.12 O +ATOM 864 H SER A 74 17.857 22.614 -10.603 1.00 33.51 H +ATOM 865 HA SER A 74 18.084 22.774 -13.380 1.00 33.60 H +ATOM 866 HB2 SER A 74 20.047 23.860 -12.859 1.00 39.07 H +ATOM 867 HB3 SER A 74 20.325 22.937 -11.581 1.00 39.07 H +ATOM 868 N GLY A 75 18.243 20.262 -13.669 1.00 34.93 N +ATOM 869 CA GLY A 75 18.195 18.807 -13.805 1.00 33.22 C +ATOM 870 C GLY A 75 19.568 18.163 -14.058 1.00 34.56 C +ATOM 871 O GLY A 75 19.714 16.968 -13.998 1.00 34.75 O +ATOM 872 H GLY A 75 18.177 20.759 -14.433 1.00 34.25 H +ATOM 873 HA2 GLY A 75 17.804 18.422 -12.981 1.00 33.91 H +ATOM 874 HA3 GLY A 75 17.590 18.581 -14.555 1.00 33.91 H +ATOM 875 N GLU A 76 20.602 18.965 -14.304 1.00 38.88 N +ATOM 876 CA GLU A 76 21.937 18.470 -14.636 1.00 44.48 C +ATOM 877 C GLU A 76 22.501 17.680 -13.455 1.00 38.64 C +ATOM 878 O GLU A 76 22.504 18.142 -12.321 1.00 41.97 O +ATOM 879 CB GLU A 76 22.847 19.693 -14.925 1.00 42.62 C +ATOM 880 H GLU A 76 20.475 19.869 -14.264 1.00 38.89 H +ATOM 881 HA GLU A 76 21.884 17.894 -15.433 1.00 41.86 H +ATOM 882 HB2 GLU A 76 22.869 20.261 -14.127 1.00 43.15 H +ATOM 883 N PHE A 77 22.928 16.451 -13.693 1.00 38.57 N +ATOM 884 CA PHE A 77 23.599 15.593 -12.733 1.00 36.22 C +ATOM 885 C PHE A 77 22.685 15.188 -11.567 1.00 42.09 C +ATOM 886 O PHE A 77 23.157 14.683 -10.522 1.00 35.40 O +ATOM 887 CB PHE A 77 24.838 16.297 -12.217 1.00 34.05 C +ATOM 888 CG PHE A 77 25.832 16.667 -13.299 1.00 42.69 C +ATOM 889 CD1 PHE A 77 26.490 15.681 -14.003 1.00 45.77 C +ATOM 890 CD2 PHE A 77 26.153 17.973 -13.565 1.00 44.63 C +ATOM 891 CE1 PHE A 77 27.433 15.990 -14.965 1.00 49.55 C +ATOM 892 CE2 PHE A 77 27.069 18.299 -14.543 1.00 53.40 C +ATOM 893 CZ PHE A 77 27.702 17.297 -15.249 1.00 56.29 C +ATOM 894 H PHE A 77 22.788 16.113 -14.530 1.00 38.11 H +ATOM 895 HA PHE A 77 23.883 14.768 -13.202 1.00 37.40 H +ATOM 896 HB2 PHE A 77 24.566 17.108 -11.741 1.00 36.52 H +ATOM 897 HB3 PHE A 77 25.281 15.708 -11.572 1.00 36.43 H +ATOM 898 HD1 PHE A 77 26.296 14.777 -13.817 1.00 46.07 H +ATOM 899 HD2 PHE A 77 25.712 18.662 -13.093 1.00 46.00 H +ATOM 900 HE1 PHE A 77 27.855 15.301 -15.453 1.00 50.04 H +ATOM 901 HE2 PHE A 77 27.265 19.204 -14.725 1.00 51.67 H +ATOM 902 HZ PHE A 77 28.341 17.515 -15.910 1.00 53.71 H +ATOM 903 N SER A 78 21.374 15.302 -11.735 1.00 35.22 N +ATOM 904 CA SER A 78 20.486 14.920 -10.653 1.00 34.90 C +ATOM 905 C SER A 78 20.641 13.473 -10.258 1.00 40.64 C +ATOM 906 O SER A 78 20.471 12.649 -11.078 1.00 40.59 O +ATOM 907 CB SER A 78 19.042 15.327 -10.880 1.00 33.43 C +ATOM 908 OG SER A 78 18.278 14.951 -9.719 1.00 35.24 O +ATOM 909 H SER A 78 21.022 15.601 -12.524 1.00 36.68 H +ATOM 910 HA SER A 78 20.791 15.449 -9.867 1.00 35.70 H +ATOM 911 HB2 SER A 78 18.986 16.299 -11.019 1.00 34.17 H +ATOM 912 HB3 SER A 78 18.687 14.873 -11.678 1.00 34.18 H +ATOM 913 N TRP A 79 20.869 13.204 -8.967 1.00 34.61 N +ATOM 914 CA TRP A 79 20.899 11.890 -8.403 1.00 35.13 C +ATOM 915 C TRP A 79 19.528 11.226 -8.411 1.00 38.36 C +ATOM 916 O TRP A 79 19.432 10.064 -8.129 1.00 36.03 O +ATOM 917 CB TRP A 79 21.497 11.863 -6.980 1.00 35.18 C +ATOM 918 CG TRP A 79 22.905 12.360 -6.951 1.00 34.70 C +ATOM 919 CD1 TRP A 79 23.949 11.938 -7.720 1.00 41.11 C +ATOM 920 CD2 TRP A 79 23.414 13.387 -6.100 1.00 41.47 C +ATOM 921 NE1 TRP A 79 25.067 12.674 -7.423 1.00 41.93 N +ATOM 922 CE2 TRP A 79 24.777 13.534 -6.399 1.00 40.53 C +ATOM 923 CE3 TRP A 79 22.845 14.210 -5.125 1.00 36.06 C +ATOM 924 CZ2 TRP A 79 25.581 14.472 -5.764 1.00 36.02 C +ATOM 925 CZ3 TRP A 79 23.646 15.109 -4.478 1.00 33.50 C +ATOM 926 CH2 TRP A 79 25.009 15.261 -4.787 1.00 33.53 C +ATOM 927 H TRP A 79 21.011 13.910 -8.404 1.00 36.05 H +ATOM 928 HA TRP A 79 21.495 11.349 -8.973 1.00 35.68 H +ATOM 929 HB2 TRP A 79 20.942 12.420 -6.396 1.00 35.06 H +ATOM 930 HB3 TRP A 79 21.468 10.944 -6.643 1.00 35.08 H +ATOM 931 HD1 TRP A 79 23.906 11.269 -8.384 1.00 39.82 H +ATOM 932 HE1 TRP A 79 25.862 12.550 -7.774 1.00 41.21 H +ATOM 933 HE3 TRP A 79 21.937 14.114 -4.887 1.00 36.55 H +ATOM 934 HZ2 TRP A 79 26.490 14.559 -5.989 1.00 36.46 H +ATOM 935 HZ3 TRP A 79 23.269 15.655 -3.808 1.00 34.20 H +ATOM 936 HH2 TRP A 79 25.529 15.899 -4.331 1.00 34.21 H +ATOM 937 N PHE A 80 18.444 11.997 -8.497 1.00 38.50 N +ATOM 938 CA PHE A 80 17.146 11.419 -8.322 1.00 33.29 C +ATOM 939 C PHE A 80 16.357 11.619 -9.616 1.00 38.71 C +ATOM 940 O PHE A 80 16.093 12.747 -10.024 1.00 34.79 O +ATOM 941 CB PHE A 80 16.432 12.010 -7.099 1.00 37.32 C +ATOM 942 CG PHE A 80 17.142 11.810 -5.798 1.00 35.94 C +ATOM 943 CD1 PHE A 80 17.000 10.610 -5.119 1.00 37.62 C +ATOM 944 CD2 PHE A 80 17.992 12.753 -5.282 1.00 38.06 C +ATOM 945 CE1 PHE A 80 17.570 10.411 -3.881 1.00 37.10 C +ATOM 946 CE2 PHE A 80 18.644 12.517 -4.077 1.00 35.59 C +ATOM 947 CZ PHE A 80 18.421 11.345 -3.384 1.00 37.61 C +ATOM 948 H PHE A 80 18.518 12.894 -8.656 1.00 37.20 H +ATOM 949 HA PHE A 80 17.251 10.446 -8.175 1.00 36.04 H +ATOM 950 HB2 PHE A 80 16.312 12.971 -7.247 1.00 36.06 H +ATOM 951 HB3 PHE A 80 15.542 11.606 -7.037 1.00 36.06 H +ATOM 952 HD1 PHE A 80 16.389 9.971 -5.449 1.00 37.11 H +ATOM 953 HD2 PHE A 80 18.136 13.560 -5.748 1.00 36.91 H +ATOM 954 HE1 PHE A 80 17.452 9.589 -3.432 1.00 37.32 H +ATOM 955 HE2 PHE A 80 19.211 13.178 -3.713 1.00 36.62 H +ATOM 956 HZ PHE A 80 18.862 11.191 -2.563 1.00 37.02 H +ATOM 957 N LYS A 81 15.862 10.485 -10.144 1.00 42.87 N +ATOM 958 CA LYS A 81 15.299 10.448 -11.474 1.00 39.36 C +ATOM 959 C LYS A 81 14.062 11.335 -11.513 1.00 30.79 C +ATOM 960 O LYS A 81 13.154 11.169 -10.678 1.00 34.38 O +ATOM 961 CB LYS A 81 14.865 9.006 -11.790 1.00 46.16 C +ATOM 962 H LYS A 81 15.873 9.716 -9.650 1.00 40.96 H +ATOM 963 HA LYS A 81 15.966 10.758 -12.130 1.00 39.36 H +ATOM 964 HB2 LYS A 81 14.568 8.967 -12.723 1.00 44.05 H +ATOM 965 N GLY A 82 13.986 12.226 -12.480 1.00 38.84 N +ATOM 966 CA GLY A 82 12.781 13.036 -12.639 1.00 42.91 C +ATOM 967 C GLY A 82 12.757 14.311 -11.801 1.00 45.01 C +ATOM 968 O GLY A 82 11.834 15.102 -11.968 1.00 39.38 O +ATOM 969 H GLY A 82 14.685 12.345 -13.056 1.00 37.59 H +ATOM 970 HA2 GLY A 82 12.696 13.281 -13.593 1.00 42.33 H +ATOM 971 HA3 GLY A 82 11.992 12.483 -12.407 1.00 42.23 H +ATOM 972 N TYR A 83 13.814 14.577 -10.983 1.00 35.99 N +ATOM 973 CA TYR A 83 13.831 15.739 -10.132 1.00 32.26 C +ATOM 974 C TYR A 83 14.873 16.714 -10.580 1.00 29.21 C +ATOM 975 O TYR A 83 15.952 16.366 -11.022 1.00 32.33 O +ATOM 976 CB TYR A 83 14.021 15.372 -8.658 1.00 30.90 C +ATOM 977 CG TYR A 83 12.901 14.556 -8.089 1.00 29.93 C +ATOM 978 CD1 TYR A 83 11.833 15.133 -7.471 1.00 29.96 C +ATOM 979 CD2 TYR A 83 12.981 13.166 -8.038 1.00 30.83 C +ATOM 980 CE1 TYR A 83 10.844 14.395 -6.859 1.00 25.28 C +ATOM 981 CE2 TYR A 83 11.942 12.386 -7.530 1.00 32.27 C +ATOM 982 CZ TYR A 83 10.889 13.006 -6.923 1.00 30.74 C +ATOM 983 OH TYR A 83 9.917 12.277 -6.332 1.00 30.82 O +ATOM 984 H TYR A 83 14.533 14.014 -10.973 1.00 37.00 H +ATOM 985 HA TYR A 83 12.951 16.184 -10.214 1.00 32.15 H +ATOM 986 HB2 TYR A 83 14.858 14.871 -8.568 1.00 30.97 H +ATOM 987 HB3 TYR A 83 14.107 16.199 -8.140 1.00 30.94 H +ATOM 988 HD1 TYR A 83 11.787 16.074 -7.429 1.00 28.83 H +ATOM 989 HD2 TYR A 83 13.694 12.736 -8.480 1.00 30.91 H +ATOM 990 HE1 TYR A 83 10.102 14.827 -6.472 1.00 27.63 H +ATOM 991 HE2 TYR A 83 12.008 11.445 -7.524 1.00 31.50 H +ATOM 992 N ASP A 84 14.529 17.987 -10.397 1.00 28.81 N +ATOM 993 CA ASP A 84 15.419 19.100 -10.603 1.00 32.35 C +ATOM 994 C ASP A 84 15.836 19.602 -9.197 1.00 34.72 C +ATOM 995 O ASP A 84 15.041 19.625 -8.267 1.00 32.11 O +ATOM 996 CB ASP A 84 14.736 20.209 -11.389 1.00 37.12 C +ATOM 997 CG ASP A 84 14.113 19.626 -12.691 1.00 50.64 C +ATOM 998 OD1 ASP A 84 14.865 18.953 -13.451 1.00 37.83 O +ATOM 999 OD2 ASP A 84 12.859 19.712 -12.859 1.00 40.51 O +ATOM 1000 H ASP A 84 13.676 18.169 -10.124 1.00 29.73 H +ATOM 1001 HA ASP A 84 16.216 18.794 -11.094 1.00 32.82 H +ATOM 1002 HB2 ASP A 84 14.029 20.616 -10.847 1.00 38.55 H +ATOM 1003 HB3 ASP A 84 15.388 20.900 -11.625 1.00 38.57 H +ATOM 1004 N TRP A 85 17.084 20.048 -9.065 1.00 30.57 N +ATOM 1005 CA TRP A 85 17.561 20.448 -7.727 1.00 31.88 C +ATOM 1006 C TRP A 85 17.811 21.961 -7.639 1.00 31.15 C +ATOM 1007 O TRP A 85 18.206 22.585 -8.619 1.00 31.15 O +ATOM 1008 CB TRP A 85 18.834 19.683 -7.351 1.00 31.50 C +ATOM 1009 CG TRP A 85 19.910 19.720 -8.379 1.00 30.62 C +ATOM 1010 CD1 TRP A 85 20.177 18.752 -9.305 1.00 33.12 C +ATOM 1011 CD2 TRP A 85 20.901 20.738 -8.554 1.00 31.19 C +ATOM 1012 NE1 TRP A 85 21.187 19.174 -10.127 1.00 34.06 N +ATOM 1013 CE2 TRP A 85 21.634 20.397 -9.708 1.00 36.86 C +ATOM 1014 CE3 TRP A 85 21.211 21.942 -7.898 1.00 33.17 C +ATOM 1015 CZ2 TRP A 85 22.703 21.155 -10.147 1.00 35.24 C +ATOM 1016 CZ3 TRP A 85 22.221 22.730 -8.389 1.00 42.60 C +ATOM 1017 CH2 TRP A 85 22.986 22.320 -9.493 1.00 41.29 C +ATOM 1018 H TRP A 85 17.638 20.116 -9.789 1.00 31.82 H +ATOM 1019 HA TRP A 85 16.868 20.207 -7.075 1.00 31.40 H +ATOM 1020 HB2 TRP A 85 19.180 20.057 -6.515 1.00 31.38 H +ATOM 1021 HB3 TRP A 85 18.590 18.752 -7.181 1.00 31.38 H +ATOM 1022 HD1 TRP A 85 19.645 17.986 -9.462 1.00 32.82 H +ATOM 1023 HE1 TRP A 85 21.505 18.723 -10.808 1.00 34.48 H +ATOM 1024 HE3 TRP A 85 20.683 22.240 -7.175 1.00 34.71 H +ATOM 1025 HZ2 TRP A 85 23.219 20.875 -10.884 1.00 36.88 H +ATOM 1026 HZ3 TRP A 85 22.429 23.542 -7.957 1.00 39.65 H +ATOM 1027 HH2 TRP A 85 23.690 22.865 -9.799 1.00 39.86 H +ATOM 1028 N THR A 86 17.648 22.479 -6.406 1.00 29.45 N +ATOM 1029 CA ATHR A 86 18.185 23.773 -6.021 0.50 28.63 C +ATOM 1030 CA BTHR A 86 18.151 23.772 -6.002 0.50 29.24 C +ATOM 1031 C THR A 86 19.068 23.612 -4.792 1.00 29.24 C +ATOM 1032 O THR A 86 18.762 22.861 -3.899 1.00 29.86 O +ATOM 1033 CB ATHR A 86 17.031 24.754 -5.823 0.50 30.12 C +ATOM 1034 CB BTHR A 86 16.937 24.668 -5.769 0.50 31.22 C +ATOM 1035 OG1ATHR A 86 16.298 24.244 -4.728 0.50 28.80 O +ATOM 1036 OG1BTHR A 86 16.101 24.638 -6.938 0.50 40.35 O +ATOM 1037 CG2ATHR A 86 16.067 24.787 -6.984 0.50 34.68 C +ATOM 1038 CG2BTHR A 86 17.347 26.084 -5.484 0.50 31.63 C +ATOM 1039 H THR A 86 17.186 21.990 -5.787 1.00 29.61 H +ATOM 1040 HA ATHR A 86 18.744 24.102 -6.763 0.50 29.16 H +ATOM 1041 HA BTHR A 86 18.677 24.144 -6.747 0.50 29.63 H +ATOM 1042 HB ATHR A 86 17.376 25.657 -5.624 0.50 30.35 H +ATOM 1043 HB BTHR A 86 16.430 24.317 -4.999 0.50 32.52 H +ATOM 1044 HG21ATHR A 86 15.305 25.350 -6.757 0.50 33.27 H +ATOM 1045 HG21BTHR A 86 16.554 26.627 -5.330 0.50 31.52 H +ATOM 1046 HG22ATHR A 86 15.755 23.886 -7.181 0.50 33.24 H +ATOM 1047 HG22BTHR A 86 17.839 26.438 -6.245 0.50 31.55 H +ATOM 1048 HG23ATHR A 86 16.517 25.154 -7.762 0.50 33.33 H +ATOM 1049 HG23BTHR A 86 17.913 26.108 -4.691 0.50 31.51 H +ATOM 1050 N ILE A 87 20.159 24.355 -4.745 1.00 26.71 N +ATOM 1051 CA ILE A 87 21.069 24.366 -3.584 1.00 22.97 C +ATOM 1052 C ILE A 87 20.314 24.930 -2.368 1.00 25.90 C +ATOM 1053 O ILE A 87 19.564 25.944 -2.484 1.00 31.87 O +ATOM 1054 CB ILE A 87 22.288 25.235 -3.910 1.00 32.13 C +ATOM 1055 CG1 ILE A 87 23.093 24.592 -5.051 1.00 36.90 C +ATOM 1056 CG2 ILE A 87 23.153 25.334 -2.611 1.00 32.61 C +ATOM 1057 CD1 ILE A 87 23.964 25.560 -5.854 1.00 42.43 C +ATOM 1058 H ILE A 87 20.354 24.898 -5.454 1.00 26.62 H +ATOM 1059 HA ILE A 87 21.362 23.456 -3.396 1.00 25.74 H +ATOM 1060 HB ILE A 87 21.989 26.134 -4.183 1.00 31.25 H +ATOM 1061 HG12 ILE A 87 23.671 23.898 -4.670 1.00 36.85 H +ATOM 1062 HG13 ILE A 87 22.470 24.152 -5.668 1.00 36.68 H +ATOM 1063 HG21 ILE A 87 23.304 24.442 -2.252 1.00 32.46 H +ATOM 1064 HG22 ILE A 87 22.690 25.876 -1.948 1.00 32.42 H +ATOM 1065 HG23 ILE A 87 24.009 25.746 -2.822 1.00 32.46 H +ATOM 1066 HD11 ILE A 87 24.611 25.983 -5.262 1.00 40.73 H +ATOM 1067 HD12 ILE A 87 23.403 26.244 -6.260 1.00 40.74 H +ATOM 1068 HD13 ILE A 87 24.435 25.073 -6.552 1.00 40.73 H +ATOM 1069 N ALA A 88 20.469 24.260 -1.237 1.00 27.11 N +ATOM 1070 CA ALA A 88 19.852 24.628 0.056 1.00 23.92 C +ATOM 1071 C ALA A 88 20.967 25.010 1.044 1.00 23.90 C +ATOM 1072 O ALA A 88 21.838 24.193 1.404 1.00 25.69 O +ATOM 1073 CB ALA A 88 19.036 23.431 0.555 1.00 23.63 C +ATOM 1074 H ALA A 88 20.997 23.514 -1.254 1.00 26.05 H +ATOM 1075 HA ALA A 88 19.255 25.401 -0.075 1.00 24.50 H +ATOM 1076 HB1 ALA A 88 18.593 23.664 1.388 1.00 23.72 H +ATOM 1077 HB2 ALA A 88 18.367 23.194 -0.110 1.00 23.72 H +ATOM 1078 HB3 ALA A 88 19.626 22.674 0.704 1.00 23.72 H +ATOM 1079 N LEU A 89 21.081 26.316 1.349 1.00 25.96 N +ATOM 1080 CA LEU A 89 21.943 26.783 2.408 1.00 27.19 C +ATOM 1081 C LEU A 89 21.169 26.813 3.722 1.00 22.00 C +ATOM 1082 O LEU A 89 19.974 27.005 3.704 1.00 25.58 O +ATOM 1083 CB LEU A 89 22.487 28.158 2.040 1.00 28.16 C +ATOM 1084 CG LEU A 89 23.135 28.286 0.653 1.00 26.64 C +ATOM 1085 CD1 LEU A 89 23.715 29.720 0.493 1.00 32.75 C +ATOM 1086 CD2 LEU A 89 24.227 27.288 0.487 1.00 28.36 C +ATOM 1087 H LEU A 89 20.600 26.930 0.873 1.00 25.74 H +ATOM 1088 HA LEU A 89 22.692 26.153 2.501 1.00 26.06 H +ATOM 1089 HB2 LEU A 89 21.752 28.801 2.095 1.00 27.55 H +ATOM 1090 HB3 LEU A 89 23.150 28.414 2.712 1.00 27.58 H +ATOM 1091 HG LEU A 89 22.449 28.135 -0.043 1.00 28.24 H +ATOM 1092 HD11 LEU A 89 23.925 29.884 -0.443 1.00 30.85 H +ATOM 1093 HD12 LEU A 89 24.526 29.804 1.025 1.00 30.83 H +ATOM 1094 HD13 LEU A 89 23.060 30.372 0.797 1.00 30.84 H +ATOM 1095 HD21 LEU A 89 23.851 26.390 0.480 1.00 27.82 H +ATOM 1096 HD22 LEU A 89 24.857 27.370 1.224 1.00 27.83 H +ATOM 1097 HD23 LEU A 89 24.689 27.450 -0.354 1.00 27.83 H +ATOM 1098 N CYS A 90 21.946 26.807 4.832 1.00 22.42 N +ATOM 1099 CA CYS A 90 21.398 27.146 6.118 1.00 19.42 C +ATOM 1100 C CYS A 90 20.954 28.604 5.939 1.00 27.28 C +ATOM 1101 O CYS A 90 21.785 29.443 5.539 1.00 24.39 O +ATOM 1102 CB CYS A 90 22.530 27.022 7.180 1.00 23.46 C +ATOM 1103 SG CYS A 90 21.891 27.595 8.759 1.00 27.63 S +ATOM 1104 H CYS A 90 22.830 26.585 4.768 1.00 21.68 H +ATOM 1105 HA CYS A 90 20.636 26.561 6.336 1.00 21.98 H +ATOM 1106 HB2 CYS A 90 22.818 26.090 7.260 1.00 23.22 H +ATOM 1107 HB3 CYS A 90 23.298 27.570 6.919 1.00 23.18 H +ATOM 1108 N GLY A 91 19.728 28.927 6.315 1.00 25.62 N +ATOM 1109 CA GLY A 91 19.261 30.298 6.164 1.00 26.67 C +ATOM 1110 C GLY A 91 19.960 31.248 7.131 1.00 27.69 C +ATOM 1111 O GLY A 91 19.927 32.425 6.919 1.00 30.45 O +ATOM 1112 H GLY A 91 19.170 28.298 6.671 1.00 26.16 H +ATOM 1113 HA2 GLY A 91 19.426 30.596 5.234 1.00 26.63 H +ATOM 1114 HA3 GLY A 91 18.285 30.325 6.326 1.00 26.64 H +ATOM 1115 N GLN A 92 20.559 30.721 8.215 1.00 33.51 N +ATOM 1116 CA GLN A 92 21.176 31.527 9.237 1.00 29.21 C +ATOM 1117 C GLN A 92 22.620 31.786 8.851 1.00 33.14 C +ATOM 1118 O GLN A 92 23.038 32.924 8.656 1.00 29.28 O +ATOM 1119 CB GLN A 92 20.920 30.877 10.585 1.00 29.33 C +ATOM 1120 CG GLN A 92 21.484 31.664 11.716 1.00 29.61 C +ATOM 1121 CD GLN A 92 20.804 31.241 13.008 1.00 26.77 C +ATOM 1122 OE1 GLN A 92 19.886 31.910 13.510 1.00 28.53 O +ATOM 1123 NE2 GLN A 92 21.339 30.198 13.623 1.00 28.30 N +ATOM 1124 H GLN A 92 20.569 29.814 8.318 1.00 30.91 H +ATOM 1125 HA GLN A 92 20.717 32.395 9.239 1.00 30.71 H +ATOM 1126 HB2 GLN A 92 19.952 30.778 10.707 1.00 29.35 H +ATOM 1127 HB3 GLN A 92 21.318 29.981 10.583 1.00 29.37 H +ATOM 1128 HG2 GLN A 92 22.450 31.507 11.782 1.00 28.89 H +ATOM 1129 HG3 GLN A 92 21.336 32.622 11.563 1.00 28.88 H +ATOM 1130 HE21 GLN A 92 22.048 29.795 13.280 1.00 27.84 H +ATOM 1131 HE22 GLN A 92 20.988 29.901 14.376 1.00 27.83 H +ATOM 1132 N CYS A 93 23.384 30.713 8.693 1.00 32.93 N +ATOM 1133 CA CYS A 93 24.823 30.807 8.584 1.00 30.12 C +ATOM 1134 C CYS A 93 25.331 30.679 7.155 1.00 28.29 C +ATOM 1135 O CYS A 93 26.450 31.027 6.909 1.00 25.97 O +ATOM 1136 CB CYS A 93 25.597 29.883 9.482 1.00 31.84 C +ATOM 1137 SG CYS A 93 25.632 28.138 8.965 1.00 27.38 S +ATOM 1138 H CYS A 93 22.994 29.887 8.656 1.00 32.27 H +ATOM 1139 HA CYS A 93 25.055 31.718 8.875 1.00 30.61 H +ATOM 1140 HB2 CYS A 93 26.521 30.202 9.539 1.00 30.53 H +ATOM 1141 HB3 CYS A 93 25.214 29.927 10.381 1.00 30.53 H +ATOM 1142 N GLY A 94 24.529 30.271 6.204 1.00 27.78 N +ATOM 1143 CA GLY A 94 24.970 30.156 4.848 1.00 28.67 C +ATOM 1144 C GLY A 94 25.710 28.855 4.496 1.00 28.39 C +ATOM 1145 O GLY A 94 26.094 28.691 3.356 1.00 30.46 O +ATOM 1146 H GLY A 94 23.665 30.051 6.405 1.00 28.17 H +ATOM 1147 HA2 GLY A 94 24.178 30.236 4.259 1.00 28.39 H +ATOM 1148 HA3 GLY A 94 25.561 30.923 4.642 1.00 28.37 H +ATOM 1149 N SER A 95 25.895 27.950 5.424 1.00 27.17 N +ATOM 1150 CA ASER A 95 26.546 26.660 5.206 0.50 33.18 C +ATOM 1151 CA BSER A 95 26.577 26.699 5.155 0.50 34.65 C +ATOM 1152 C SER A 95 25.723 25.836 4.219 1.00 30.21 C +ATOM 1153 O SER A 95 24.495 25.835 4.294 1.00 25.87 O +ATOM 1154 CB ASER A 95 26.698 25.891 6.516 0.50 31.42 C +ATOM 1155 CB BSER A 95 26.874 25.984 6.426 0.50 35.36 C +ATOM 1156 OG ASER A 95 26.969 24.467 6.380 0.50 28.96 O +ATOM 1157 OG BSER A 95 27.865 26.672 7.166 0.50 35.66 O +ATOM 1158 H SER A 95 25.589 28.124 6.266 1.00 29.78 H +ATOM 1159 HA ASER A 95 27.448 26.822 4.817 0.50 31.06 H +ATOM 1160 HA BSER A 95 27.437 26.905 4.698 0.50 32.30 H +ATOM 1161 HB2ASER A 95 27.427 26.301 7.034 0.50 31.19 H +ATOM 1162 HB2BSER A 95 26.052 25.914 6.962 0.50 35.22 H +ATOM 1163 HB3ASER A 95 25.871 26.001 7.037 0.50 31.17 H +ATOM 1164 HB3BSER A 95 27.187 25.073 6.224 0.50 35.23 H +ATOM 1165 N HIS A 96 26.400 25.110 3.321 1.00 29.29 N +ATOM 1166 CA HIS A 96 25.708 24.261 2.355 1.00 32.28 C +ATOM 1167 C HIS A 96 25.167 23.006 2.987 1.00 29.47 C +ATOM 1168 O HIS A 96 25.969 22.227 3.499 1.00 28.62 O +ATOM 1169 CB HIS A 96 26.690 23.921 1.207 1.00 33.54 C +ATOM 1170 CG HIS A 96 26.009 23.063 0.200 1.00 34.57 C +ATOM 1171 ND1 HIS A 96 26.667 22.106 -0.523 1.00 41.15 N +ATOM 1172 CD2 HIS A 96 24.677 22.985 -0.191 1.00 31.21 C +ATOM 1173 CE1 HIS A 96 25.793 21.505 -1.326 1.00 39.10 C +ATOM 1174 NE2 HIS A 96 24.606 22.036 -1.156 1.00 34.75 N +ATOM 1175 H HIS A 96 27.313 25.137 3.309 1.00 30.25 H +ATOM 1176 HA HIS A 96 24.950 24.775 1.981 1.00 31.25 H +ATOM 1177 HB2 HIS A 96 26.988 24.753 0.780 1.00 33.53 H +ATOM 1178 HB3 HIS A 96 27.466 23.445 1.574 1.00 33.66 H +ATOM 1179 HD2 HIS A 96 23.969 23.518 0.111 1.00 32.75 H +ATOM 1180 HE1 HIS A 96 26.007 20.820 -1.934 1.00 38.27 H +ATOM 1181 N LEU A 97 23.850 22.892 3.143 1.00 26.35 N +ATOM 1182 CA LEU A 97 23.274 21.757 3.843 1.00 25.19 C +ATOM 1183 C LEU A 97 22.708 20.666 2.959 1.00 23.33 C +ATOM 1184 O LEU A 97 22.454 19.542 3.435 1.00 27.21 O +ATOM 1185 CB LEU A 97 22.189 22.196 4.839 1.00 27.72 C +ATOM 1186 CG LEU A 97 22.643 23.119 5.952 1.00 29.53 C +ATOM 1187 CD1 LEU A 97 21.481 23.381 6.949 1.00 31.43 C +ATOM 1188 CD2 LEU A 97 23.829 22.582 6.690 1.00 28.45 C +ATOM 1189 H LEU A 97 23.294 23.538 2.812 1.00 26.86 H +ATOM 1190 HA LEU A 97 24.002 21.345 4.361 1.00 25.56 H +ATOM 1191 HB2 LEU A 97 21.478 22.644 4.339 1.00 27.52 H +ATOM 1192 HB3 LEU A 97 21.801 21.395 5.244 1.00 27.50 H +ATOM 1193 HG LEU A 97 22.900 23.984 5.547 1.00 29.30 H +ATOM 1194 HD11 LEU A 97 21.714 24.122 7.533 1.00 30.78 H +ATOM 1195 HD12 LEU A 97 21.327 22.583 7.484 1.00 30.83 H +ATOM 1196 HD13 LEU A 97 20.673 23.600 6.455 1.00 30.77 H +ATOM 1197 HD21 LEU A 97 24.611 22.599 6.111 1.00 28.73 H +ATOM 1198 HD22 LEU A 97 23.651 21.666 6.969 1.00 28.76 H +ATOM 1199 HD23 LEU A 97 23.998 23.132 7.475 1.00 28.77 H +ATOM 1200 N GLY A 98 22.499 20.977 1.681 1.00 28.35 N +ATOM 1201 CA GLY A 98 22.090 20.001 0.728 1.00 26.26 C +ATOM 1202 C GLY A 98 21.316 20.667 -0.419 1.00 25.50 C +ATOM 1203 O GLY A 98 21.703 21.688 -0.957 1.00 23.76 O +ATOM 1204 H GLY A 98 22.612 21.840 1.403 1.00 26.60 H +ATOM 1205 HA2 GLY A 98 22.889 19.542 0.368 1.00 26.57 H +ATOM 1206 HA3 GLY A 98 21.515 19.331 1.173 1.00 26.56 H +ATOM 1207 N TRP A 99 20.264 20.011 -0.821 1.00 24.83 N +ATOM 1208 CA TRP A 99 19.491 20.444 -2.020 1.00 27.07 C +ATOM 1209 C TRP A 99 18.011 20.250 -1.800 1.00 31.98 C +ATOM 1210 O TRP A 99 17.581 19.320 -1.119 1.00 26.82 O +ATOM 1211 CB TRP A 99 19.905 19.661 -3.279 1.00 31.44 C +ATOM 1212 CG TRP A 99 21.385 19.650 -3.526 1.00 25.98 C +ATOM 1213 CD1 TRP A 99 22.088 20.501 -4.328 1.00 31.87 C +ATOM 1214 CD2 TRP A 99 22.369 18.818 -2.886 1.00 27.43 C +ATOM 1215 NE1 TRP A 99 23.423 20.266 -4.184 1.00 27.57 N +ATOM 1216 CE2 TRP A 99 23.621 19.213 -3.364 1.00 27.86 C +ATOM 1217 CE3 TRP A 99 22.299 17.746 -1.980 1.00 31.19 C +ATOM 1218 CZ2 TRP A 99 24.822 18.644 -2.897 1.00 30.23 C +ATOM 1219 CZ3 TRP A 99 23.478 17.166 -1.524 1.00 31.28 C +ATOM 1220 CH2 TRP A 99 24.699 17.568 -2.047 1.00 28.15 C +ATOM 1221 H TRP A 99 19.989 19.269 -0.364 1.00 25.52 H +ATOM 1222 HA TRP A 99 19.671 21.398 -2.175 1.00 28.20 H +ATOM 1223 HB2 TRP A 99 19.588 18.740 -3.188 1.00 29.10 H +ATOM 1224 HB3 TRP A 99 19.454 20.059 -4.051 1.00 29.09 H +ATOM 1225 HD1 TRP A 99 21.717 21.197 -4.848 1.00 29.43 H +ATOM 1226 HE1 TRP A 99 24.053 20.680 -4.632 1.00 28.65 H +ATOM 1227 HE3 TRP A 99 21.467 17.477 -1.627 1.00 30.25 H +ATOM 1228 HZ2 TRP A 99 25.656 18.895 -3.258 1.00 29.25 H +ATOM 1229 HZ3 TRP A 99 23.443 16.436 -0.926 1.00 30.48 H +ATOM 1230 HH2 TRP A 99 25.482 17.147 -1.739 1.00 29.34 H +ATOM 1231 N HIS A 100 17.212 21.113 -2.452 1.00 27.99 N +ATOM 1232 CA HIS A 100 15.786 20.886 -2.515 1.00 29.89 C +ATOM 1233 C HIS A 100 15.492 20.326 -3.925 1.00 27.35 C +ATOM 1234 O HIS A 100 16.110 20.749 -4.907 1.00 29.52 O +ATOM 1235 CB HIS A 100 14.997 22.181 -2.429 1.00 32.88 C +ATOM 1236 CG HIS A 100 13.501 22.054 -2.491 1.00 33.63 C +ATOM 1237 ND1 HIS A 100 12.700 22.517 -3.513 1.00 36.18 N +ATOM 1238 CD2 HIS A 100 12.658 21.488 -1.581 1.00 39.12 C +ATOM 1239 CE1 HIS A 100 11.426 22.313 -3.162 1.00 32.29 C +ATOM 1240 NE2 HIS A 100 11.370 21.629 -2.038 1.00 34.05 N +ATOM 1241 H HIS A 100 17.566 21.850 -2.860 1.00 29.30 H +ATOM 1242 HA HIS A 100 15.492 20.235 -1.831 1.00 29.52 H +ATOM 1243 HB2 HIS A 100 15.237 22.632 -1.591 1.00 32.33 H +ATOM 1244 HB3 HIS A 100 15.290 22.768 -3.156 1.00 32.29 H +ATOM 1245 HD2 HIS A 100 12.905 21.068 -0.782 1.00 36.44 H +ATOM 1246 HE1 HIS A 100 10.689 22.512 -3.715 1.00 33.60 H +ATOM 1247 N TYR A 101 14.666 19.297 -3.952 1.00 26.96 N +ATOM 1248 CA TYR A 101 14.331 18.641 -5.215 1.00 28.57 C +ATOM 1249 C TYR A 101 12.860 18.895 -5.545 1.00 25.31 C +ATOM 1250 O TYR A 101 12.017 18.863 -4.661 1.00 26.25 O +ATOM 1251 CB TYR A 101 14.543 17.124 -5.062 1.00 27.76 C +ATOM 1252 CG TYR A 101 15.994 16.734 -5.066 1.00 26.85 C +ATOM 1253 CD1 TYR A 101 16.704 16.588 -6.222 1.00 34.80 C +ATOM 1254 CD2 TYR A 101 16.685 16.664 -3.857 1.00 30.74 C +ATOM 1255 CE1 TYR A 101 18.037 16.273 -6.226 1.00 32.33 C +ATOM 1256 CE2 TYR A 101 18.031 16.364 -3.831 1.00 27.75 C +ATOM 1257 CZ TYR A 101 18.714 16.175 -5.010 1.00 30.11 C +ATOM 1258 OH TYR A 101 20.114 15.931 -5.008 1.00 30.70 O +ATOM 1259 H TYR A 101 14.293 18.988 -3.177 1.00 27.44 H +ATOM 1260 HA TYR A 101 14.904 18.988 -5.941 1.00 27.55 H +ATOM 1261 HB2 TYR A 101 14.133 16.831 -4.221 1.00 27.75 H +ATOM 1262 HB3 TYR A 101 14.086 16.665 -5.798 1.00 27.74 H +ATOM 1263 HD1 TYR A 101 16.249 16.650 -7.046 1.00 32.10 H +ATOM 1264 HD2 TYR A 101 16.221 16.792 -3.046 1.00 29.12 H +ATOM 1265 HE1 TYR A 101 18.501 16.167 -7.040 1.00 32.27 H +ATOM 1266 HE2 TYR A 101 18.488 16.307 -3.008 1.00 29.01 H +ATOM 1267 N GLU A 102 12.586 19.184 -6.804 1.00 29.47 N +ATOM 1268 CA GLU A 102 11.254 19.513 -7.289 1.00 31.76 C +ATOM 1269 C GLU A 102 11.079 18.906 -8.697 1.00 34.82 C +ATOM 1270 O GLU A 102 12.033 18.473 -9.377 1.00 31.72 O +ATOM 1271 CB GLU A 102 11.048 21.045 -7.222 1.00 31.31 C +ATOM 1272 H GLU A 102 13.272 19.177 -7.408 1.00 28.92 H +ATOM 1273 HA GLU A 102 10.599 19.087 -6.691 1.00 31.71 H +ATOM 1274 HB2 GLU A 102 11.633 21.468 -7.884 1.00 31.44 H +ATOM 1275 N GLY A 103 9.888 19.095 -9.233 1.00 34.60 N +ATOM 1276 CA GLY A 103 9.608 18.841 -10.636 1.00 31.29 C +ATOM 1277 C GLY A 103 9.289 17.389 -10.986 1.00 34.61 C +ATOM 1278 O GLY A 103 9.187 17.053 -12.188 1.00 34.43 O +ATOM 1279 H GLY A 103 9.208 19.396 -8.701 1.00 33.84 H +ATOM 1280 HA2 GLY A 103 8.843 19.406 -10.905 1.00 32.78 H +ATOM 1281 HA3 GLY A 103 10.388 19.133 -11.171 1.00 32.78 H +ATOM 1282 N GLY A 104 9.174 16.558 -9.955 1.00 36.75 N +ATOM 1283 CA GLY A 104 9.111 15.120 -10.031 1.00 36.59 C +ATOM 1284 C GLY A 104 7.706 14.646 -9.709 1.00 34.25 C +ATOM 1285 O GLY A 104 6.737 15.463 -9.761 1.00 35.04 O +ATOM 1286 H GLY A 104 9.115 16.930 -9.123 1.00 36.14 H +ATOM 1287 HA2 GLY A 104 9.362 14.825 -10.942 1.00 36.08 H +ATOM 1288 HA3 GLY A 104 9.751 14.730 -9.386 1.00 36.01 H +ATOM 1289 N SER A 105 7.601 13.377 -9.280 1.00 37.35 N +ATOM 1290 CA SER A 105 6.306 12.772 -8.999 1.00 42.82 C +ATOM 1291 C SER A 105 6.397 11.802 -7.853 1.00 37.90 C +ATOM 1292 O SER A 105 7.336 10.997 -7.819 1.00 39.02 O +ATOM 1293 CB SER A 105 5.733 12.015 -10.242 1.00 39.86 C +ATOM 1294 OG SER A 105 5.817 12.823 -11.380 1.00 39.75 O +ATOM 1295 H SER A 105 8.357 12.876 -9.162 1.00 37.71 H +ATOM 1296 HA SER A 105 5.673 13.496 -8.748 1.00 40.09 H +ATOM 1297 HB2 SER A 105 6.243 11.186 -10.387 1.00 40.44 H +ATOM 1298 HB3 SER A 105 4.793 11.775 -10.077 1.00 40.45 H +ATOM 1299 N GLN A 106 5.453 11.909 -6.922 1.00 33.85 N +ATOM 1300 CA GLN A 106 5.313 10.927 -5.867 1.00 38.58 C +ATOM 1301 C GLN A 106 6.626 10.779 -5.076 1.00 42.70 C +ATOM 1302 O GLN A 106 7.166 9.684 -4.948 1.00 46.54 O +ATOM 1303 CB GLN A 106 4.915 9.554 -6.468 1.00 44.35 C +ATOM 1304 H GLN A 106 4.876 12.619 -6.942 1.00 35.90 H +ATOM 1305 HA GLN A 106 4.601 11.223 -5.255 1.00 39.27 H +ATOM 1306 HB2 GLN A 106 4.675 8.951 -5.734 1.00 42.61 H +ATOM 1307 N PRO A 107 7.110 11.825 -4.376 1.00 44.41 N +ATOM 1308 CA PRO A 107 6.435 13.127 -4.265 1.00 36.87 C +ATOM 1309 C PRO A 107 6.918 14.102 -5.303 1.00 36.02 C +ATOM 1310 O PRO A 107 7.865 13.835 -6.007 1.00 32.69 O +ATOM 1311 CB PRO A 107 6.765 13.514 -2.835 1.00 45.06 C +ATOM 1312 CG PRO A 107 8.201 13.072 -2.755 1.00 42.93 C +ATOM 1313 CD PRO A 107 8.279 11.758 -3.506 1.00 49.03 C +ATOM 1314 HA PRO A 107 5.457 13.002 -4.349 1.00 39.48 H +ATOM 1315 HB2 PRO A 107 6.677 14.481 -2.692 1.00 42.57 H +ATOM 1316 HB3 PRO A 107 6.203 13.033 -2.190 1.00 42.60 H +ATOM 1317 HG2 PRO A 107 8.791 13.737 -3.164 1.00 44.69 H +ATOM 1318 HG3 PRO A 107 8.471 12.949 -1.822 1.00 44.72 H +ATOM 1319 HD2 PRO A 107 9.102 11.693 -4.024 1.00 46.39 H +ATOM 1320 HD3 PRO A 107 8.222 10.998 -2.897 1.00 46.48 H +ATOM 1321 N GLN A 108 6.214 15.258 -5.419 1.00 30.48 N +ATOM 1322 CA GLN A 108 6.641 16.266 -6.335 1.00 31.15 C +ATOM 1323 C GLN A 108 7.953 16.900 -5.851 1.00 29.04 C +ATOM 1324 O GLN A 108 8.754 17.252 -6.720 1.00 31.07 O +ATOM 1325 CB GLN A 108 5.621 17.400 -6.534 1.00 33.48 C +ATOM 1326 CG GLN A 108 4.448 16.952 -7.411 1.00 39.77 C +ATOM 1327 CD GLN A 108 3.379 18.009 -7.433 1.00 35.57 C +ATOM 1328 OE1 GLN A 108 2.977 18.505 -6.393 1.00 47.20 O +ATOM 1329 NE2 GLN A 108 2.915 18.338 -8.603 1.00 41.92 N +ATOM 1330 H GLN A 108 5.466 15.397 -4.912 1.00 31.92 H +ATOM 1331 HA GLN A 108 6.805 15.839 -7.206 1.00 31.09 H +ATOM 1332 HB2 GLN A 108 5.286 17.682 -5.657 1.00 34.31 H +ATOM 1333 HB3 GLN A 108 6.069 18.164 -6.952 1.00 34.23 H +ATOM 1334 HG2 GLN A 108 4.765 16.783 -8.323 1.00 37.33 H +ATOM 1335 HG3 GLN A 108 4.073 16.117 -7.058 1.00 37.30 H +ATOM 1336 HE21 GLN A 108 3.151 17.877 -9.320 1.00 39.84 H +ATOM 1337 HE22 GLN A 108 2.360 19.022 -8.683 1.00 39.90 H +ATOM 1338 N THR A 109 8.132 16.985 -4.552 1.00 29.09 N +ATOM 1339 CA THR A 109 9.277 17.709 -3.965 1.00 30.51 C +ATOM 1340 C THR A 109 9.725 17.048 -2.675 1.00 33.02 C +ATOM 1341 O THR A 109 8.953 16.344 -2.037 1.00 31.18 O +ATOM 1342 CB THR A 109 8.951 19.180 -3.543 1.00 36.16 C +ATOM 1343 OG1 THR A 109 8.052 19.142 -2.412 1.00 34.97 O +ATOM 1344 CG2 THR A 109 8.325 20.005 -4.637 1.00 40.90 C +ATOM 1345 H THR A 109 7.528 16.595 -3.988 1.00 29.46 H +ATOM 1346 HA THR A 109 10.019 17.707 -4.608 1.00 31.57 H +ATOM 1347 HB THR A 109 9.793 19.613 -3.264 1.00 35.64 H +ATOM 1348 HG21 THR A 109 8.171 20.911 -4.314 1.00 39.38 H +ATOM 1349 HG22 THR A 109 7.476 19.607 -4.901 1.00 39.29 H +ATOM 1350 HG23 THR A 109 8.922 20.033 -5.406 1.00 39.33 H +ATOM 1351 N PHE A 110 11.030 17.262 -2.310 1.00 36.48 N +ATOM 1352 CA PHE A 110 11.599 16.734 -1.070 1.00 29.48 C +ATOM 1353 C PHE A 110 12.969 17.415 -0.907 1.00 24.92 C +ATOM 1354 O PHE A 110 13.423 18.094 -1.814 1.00 27.64 O +ATOM 1355 CB PHE A 110 11.737 15.204 -1.064 1.00 31.98 C +ATOM 1356 CG PHE A 110 12.763 14.627 -2.010 1.00 30.21 C +ATOM 1357 CD1 PHE A 110 12.472 14.406 -3.354 1.00 31.68 C +ATOM 1358 CD2 PHE A 110 14.032 14.278 -1.555 1.00 29.90 C +ATOM 1359 CE1 PHE A 110 13.423 13.852 -4.223 1.00 29.85 C +ATOM 1360 CE2 PHE A 110 15.026 13.815 -2.429 1.00 28.19 C +ATOM 1361 CZ PHE A 110 14.737 13.581 -3.765 1.00 31.53 C +ATOM 1362 H PHE A 110 11.567 17.752 -2.864 1.00 33.84 H +ATOM 1363 HA PHE A 110 11.020 17.006 -0.314 1.00 30.25 H +ATOM 1364 HB2 PHE A 110 11.962 14.922 -0.154 1.00 30.93 H +ATOM 1365 HB3 PHE A 110 10.863 14.817 -1.282 1.00 30.98 H +ATOM 1366 HD1 PHE A 110 11.606 14.602 -3.677 1.00 30.89 H +ATOM 1367 HD2 PHE A 110 14.260 14.461 -0.658 1.00 29.59 H +ATOM 1368 HE1 PHE A 110 13.210 13.730 -5.134 1.00 30.63 H +ATOM 1369 HE2 PHE A 110 15.878 13.593 -2.090 1.00 29.36 H +ATOM 1370 HZ PHE A 110 15.383 13.213 -4.342 1.00 30.41 H +ATOM 1371 N PHE A 111 13.610 17.158 0.258 1.00 27.87 N +ATOM 1372 CA PHE A 111 14.915 17.697 0.530 1.00 28.96 C +ATOM 1373 C PHE A 111 15.914 16.542 0.655 1.00 29.52 C +ATOM 1374 O PHE A 111 15.614 15.574 1.300 1.00 25.73 O +ATOM 1375 CB PHE A 111 14.889 18.485 1.818 1.00 26.14 C +ATOM 1376 CG PHE A 111 14.058 19.746 1.763 1.00 27.16 C +ATOM 1377 CD1 PHE A 111 12.718 19.689 2.004 1.00 29.72 C +ATOM 1378 CD2 PHE A 111 14.616 20.938 1.490 1.00 31.44 C +ATOM 1379 CE1 PHE A 111 11.930 20.825 1.963 1.00 33.70 C +ATOM 1380 CE2 PHE A 111 13.855 22.119 1.557 1.00 31.97 C +ATOM 1381 CZ PHE A 111 12.507 22.044 1.750 1.00 27.49 C +ATOM 1382 H PHE A 111 13.207 16.634 0.890 1.00 27.44 H +ATOM 1383 HA PHE A 111 15.193 18.290 -0.213 1.00 28.21 H +ATOM 1384 HB2 PHE A 111 14.539 17.906 2.528 1.00 27.01 H +ATOM 1385 HB3 PHE A 111 15.810 18.723 2.055 1.00 27.05 H +ATOM 1386 HD1 PHE A 111 12.314 18.851 2.163 1.00 29.94 H +ATOM 1387 HD2 PHE A 111 15.552 20.995 1.382 1.00 30.42 H +ATOM 1388 HE1 PHE A 111 11.004 20.764 2.139 1.00 31.16 H +ATOM 1389 HE2 PHE A 111 14.256 22.949 1.352 1.00 30.71 H +ATOM 1390 HZ PHE A 111 11.977 22.825 1.732 1.00 29.87 H +ATOM 1391 N GLY A 112 17.107 16.731 0.067 1.00 22.17 N +ATOM 1392 CA GLY A 112 18.225 15.820 0.332 1.00 26.43 C +ATOM 1393 C GLY A 112 19.281 16.583 1.103 1.00 27.37 C +ATOM 1394 O GLY A 112 19.924 17.456 0.534 1.00 29.50 O +ATOM 1395 H GLY A 112 17.230 17.431 -0.507 1.00 24.75 H +ATOM 1396 HA2 GLY A 112 17.912 15.043 0.859 1.00 25.59 H +ATOM 1397 HA3 GLY A 112 18.600 15.498 -0.526 1.00 25.56 H +ATOM 1398 N LEU A 113 19.415 16.244 2.394 1.00 26.50 N +ATOM 1399 CA LEU A 113 20.322 16.965 3.269 1.00 22.38 C +ATOM 1400 C LEU A 113 21.531 16.125 3.637 1.00 24.04 C +ATOM 1401 O LEU A 113 21.414 14.895 3.778 1.00 23.80 O +ATOM 1402 CB LEU A 113 19.553 17.331 4.551 1.00 23.99 C +ATOM 1403 CG LEU A 113 18.331 18.257 4.320 1.00 24.46 C +ATOM 1404 CD1 LEU A 113 17.659 18.706 5.622 1.00 28.19 C +ATOM 1405 CD2 LEU A 113 18.748 19.473 3.562 1.00 27.90 C +ATOM 1406 H LEU A 113 18.932 15.547 2.735 1.00 25.71 H +ATOM 1407 HA LEU A 113 20.624 17.782 2.814 1.00 23.86 H +ATOM 1408 HB2 LEU A 113 19.246 16.505 4.976 1.00 23.73 H +ATOM 1409 HB3 LEU A 113 20.170 17.773 5.169 1.00 23.72 H +ATOM 1410 HG LEU A 113 17.665 17.766 3.779 1.00 25.66 H +ATOM 1411 HD11 LEU A 113 16.786 19.088 5.423 1.00 27.04 H +ATOM 1412 HD12 LEU A 113 18.213 19.375 6.061 1.00 27.05 H +ATOM 1413 HD13 LEU A 113 17.549 17.939 6.212 1.00 27.04 H +ATOM 1414 HD21 LEU A 113 18.969 19.229 2.647 1.00 26.77 H +ATOM 1415 HD22 LEU A 113 19.528 19.871 3.989 1.00 26.81 H +ATOM 1416 HD23 LEU A 113 18.019 20.118 3.557 1.00 26.82 H +ATOM 1417 N ILE A 114 22.687 16.782 3.657 1.00 25.27 N +ATOM 1418 CA ILE A 114 23.949 16.131 4.009 1.00 28.32 C +ATOM 1419 C ILE A 114 24.050 15.838 5.514 1.00 27.47 C +ATOM 1420 O ILE A 114 24.182 16.754 6.308 1.00 29.38 O +ATOM 1421 CB ILE A 114 25.120 16.988 3.506 1.00 29.40 C +ATOM 1422 CG1 ILE A 114 24.972 17.316 2.023 1.00 26.18 C +ATOM 1423 CG2 ILE A 114 26.462 16.260 3.794 1.00 29.54 C +ATOM 1424 CD1 ILE A 114 25.711 18.512 1.591 1.00 27.69 C +ATOM 1425 H ILE A 114 22.692 17.677 3.472 1.00 25.62 H +ATOM 1426 HA ILE A 114 23.984 15.280 3.535 1.00 27.71 H +ATOM 1427 HB ILE A 114 25.115 17.839 4.010 1.00 28.60 H +ATOM 1428 HG12 ILE A 114 25.289 16.548 1.501 1.00 27.24 H +ATOM 1429 HG13 ILE A 114 24.023 17.445 1.816 1.00 27.21 H +ATOM 1430 HG21 ILE A 114 26.435 15.364 3.415 1.00 29.49 H +ATOM 1431 HG22 ILE A 114 26.604 16.200 4.755 1.00 29.48 H +ATOM 1432 HG23 ILE A 114 27.195 16.758 3.392 1.00 29.48 H +ATOM 1433 HD11 ILE A 114 26.661 18.386 1.758 1.00 27.24 H +ATOM 1434 HD12 ILE A 114 25.395 19.287 2.087 1.00 27.23 H +ATOM 1435 HD13 ILE A 114 25.567 18.657 0.639 1.00 27.23 H +ATOM 1436 N LYS A 115 23.991 14.552 5.894 1.00 29.20 N +ATOM 1437 CA LYS A 115 23.718 14.056 7.229 1.00 28.90 C +ATOM 1438 C LYS A 115 24.802 14.613 8.157 1.00 27.19 C +ATOM 1439 O LYS A 115 24.515 15.032 9.279 1.00 29.70 O +ATOM 1440 CB LYS A 115 23.674 12.510 7.240 1.00 34.31 C +ATOM 1441 H LYS A 115 24.143 13.927 5.245 1.00 28.74 H +ATOM 1442 HA LYS A 115 22.843 14.403 7.518 1.00 29.54 H +ATOM 1443 HB2 LYS A 115 23.380 12.213 8.126 1.00 33.05 H +ATOM 1444 N ASP A 116 26.042 14.720 7.690 1.00 28.52 N +ATOM 1445 CA ASP A 116 27.143 15.147 8.582 1.00 29.92 C +ATOM 1446 C ASP A 116 27.217 16.651 8.728 1.00 31.60 C +ATOM 1447 O ASP A 116 27.963 17.167 9.535 1.00 29.73 O +ATOM 1448 CB ASP A 116 28.519 14.597 8.217 1.00 38.47 C +ATOM 1449 CG ASP A 116 28.818 14.749 6.739 1.00 38.67 C +ATOM 1450 OD1 ASP A 116 28.086 14.042 5.885 1.00 45.31 O +ATOM 1451 OD2 ASP A 116 29.739 15.490 6.469 1.00 42.79 O +ATOM 1452 H ASP A 116 26.223 14.522 6.817 1.00 28.55 H +ATOM 1453 HA ASP A 116 26.938 14.783 9.476 1.00 31.36 H +ATOM 1454 HB2 ASP A 116 29.209 15.063 8.733 1.00 36.35 H +ATOM 1455 HB3 ASP A 116 28.557 13.646 8.445 1.00 36.34 H +ATOM 1456 N ARG A 117 26.337 17.409 8.062 1.00 25.26 N +ATOM 1457 CA ARG A 117 26.253 18.841 8.306 1.00 26.40 C +ATOM 1458 C ARG A 117 25.146 19.170 9.293 1.00 22.79 C +ATOM 1459 O ARG A 117 24.852 20.347 9.454 1.00 25.46 O +ATOM 1460 CB ARG A 117 26.121 19.498 6.953 1.00 30.63 C +ATOM 1461 CG ARG A 117 27.406 19.227 6.165 1.00 33.58 C +ATOM 1462 CD ARG A 117 27.600 20.145 4.991 1.00 37.68 C +ATOM 1463 NE ARG A 117 28.801 19.776 4.233 1.00 39.90 N +ATOM 1464 CZ ARG A 117 29.018 20.113 2.959 1.00 54.41 C +ATOM 1465 NH1 ARG A 117 28.281 21.015 2.335 1.00 49.56 N +ATOM 1466 NH2 ARG A 117 29.998 19.573 2.266 1.00 53.25 N +ATOM 1467 H ARG A 117 25.788 17.033 7.436 1.00 26.97 H +ATOM 1468 HA ARG A 117 27.105 19.133 8.704 1.00 26.32 H +ATOM 1469 HB2 ARG A 117 25.350 19.126 6.477 1.00 30.19 H +ATOM 1470 HB3 ARG A 117 25.993 20.463 7.064 1.00 30.19 H +ATOM 1471 HG2 ARG A 117 28.177 19.321 6.764 1.00 33.66 H +ATOM 1472 HG3 ARG A 117 27.393 18.302 5.839 1.00 33.71 H +ATOM 1473 HD2 ARG A 117 26.815 20.090 4.406 1.00 37.35 H +ATOM 1474 HD3 ARG A 117 27.682 21.070 5.307 1.00 37.23 H +ATOM 1475 HE ARG A 117 29.414 19.308 4.639 1.00 42.48 H +ATOM 1476 HH11 ARG A 117 27.711 21.508 2.790 1.00 50.51 H +ATOM 1477 HH12 ARG A 117 28.361 21.123 1.464 1.00 50.93 H +ATOM 1478 HH21 ARG A 117 30.138 19.819 1.433 1.00 53.50 H +ATOM 1479 HH22 ARG A 117 30.513 18.965 2.638 1.00 53.37 H +ATOM 1480 N LEU A 118 24.424 18.149 9.760 1.00 23.21 N +ATOM 1481 CA LEU A 118 23.344 18.362 10.730 1.00 22.66 C +ATOM 1482 C LEU A 118 23.765 17.839 12.078 1.00 27.24 C +ATOM 1483 O LEU A 118 24.612 16.944 12.168 1.00 29.38 O +ATOM 1484 CB LEU A 118 22.109 17.607 10.291 1.00 28.76 C +ATOM 1485 CG LEU A 118 21.599 18.001 8.924 1.00 27.20 C +ATOM 1486 CD1 LEU A 118 20.463 17.068 8.551 1.00 30.50 C +ATOM 1487 CD2 LEU A 118 21.130 19.490 8.963 1.00 27.67 C +ATOM 1488 H LEU A 118 24.594 17.299 9.472 1.00 23.09 H +ATOM 1489 HA LEU A 118 23.151 19.323 10.799 1.00 24.65 H +ATOM 1490 HB2 LEU A 118 22.313 16.651 10.287 1.00 26.91 H +ATOM 1491 HB3 LEU A 118 21.400 17.759 10.947 1.00 26.89 H +ATOM 1492 HG LEU A 118 22.328 17.906 8.263 1.00 28.14 H +ATOM 1493 HD11 LEU A 118 20.249 17.178 7.608 1.00 29.48 H +ATOM 1494 HD12 LEU A 118 19.678 17.281 9.086 1.00 29.48 H +ATOM 1495 HD13 LEU A 118 20.728 16.147 8.717 1.00 29.46 H +ATOM 1496 HD21 LEU A 118 21.898 20.072 9.096 1.00 27.48 H +ATOM 1497 HD22 LEU A 118 20.499 19.613 9.694 1.00 27.52 H +ATOM 1498 HD23 LEU A 118 20.697 19.715 8.121 1.00 27.52 H +ATOM 1499 N ALA A 119 23.105 18.354 13.124 1.00 27.40 N +ATOM 1500 CA ALA A 119 23.256 17.846 14.482 1.00 26.69 C +ATOM 1501 C ALA A 119 21.911 17.403 15.017 1.00 26.84 C +ATOM 1502 O ALA A 119 20.952 18.179 14.966 1.00 26.85 O +ATOM 1503 CB ALA A 119 23.913 18.864 15.354 1.00 27.74 C +ATOM 1504 H ALA A 119 22.534 19.054 12.984 1.00 27.15 H +ATOM 1505 HA ALA A 119 23.841 17.055 14.446 1.00 27.02 H +ATOM 1506 HB1 ALA A 119 24.045 18.494 16.243 1.00 27.42 H +ATOM 1507 HB2 ALA A 119 24.774 19.110 14.975 1.00 27.42 H +ATOM 1508 HB3 ALA A 119 23.349 19.654 15.414 1.00 27.42 H +ATOM 1509 N GLU A 120 21.862 16.163 15.557 1.00 24.32 N +ATOM 1510 CA GLU A 120 20.605 15.595 16.036 1.00 26.25 C +ATOM 1511 C GLU A 120 20.435 15.761 17.526 1.00 27.80 C +ATOM 1512 O GLU A 120 21.376 15.553 18.309 1.00 26.11 O +ATOM 1513 CB GLU A 120 20.545 14.131 15.627 1.00 30.84 C +ATOM 1514 CG GLU A 120 19.193 13.450 16.006 1.00 38.67 C +ATOM 1515 CD GLU A 120 19.002 12.001 15.540 1.00 51.75 C +ATOM 1516 OE1 GLU A 120 19.976 11.432 14.919 1.00 40.95 O +ATOM 1517 OE2 GLU A 120 17.858 11.492 15.660 1.00 54.15 O +ATOM 1518 H GLU A 120 22.627 15.667 15.628 1.00 25.37 H +ATOM 1519 HA GLU A 120 19.869 16.067 15.587 1.00 26.97 H +ATOM 1520 HB2 GLU A 120 20.676 14.068 14.658 1.00 31.27 H +ATOM 1521 HB3 GLU A 120 21.279 13.651 16.064 1.00 31.26 H +ATOM 1522 HG2 GLU A 120 19.098 13.467 16.982 1.00 39.25 H +ATOM 1523 HG3 GLU A 120 18.461 13.987 15.635 1.00 39.31 H +ATOM 1524 N GLY A 121 19.237 16.091 17.968 1.00 27.47 N +ATOM 1525 CA GLY A 121 19.107 16.207 19.417 1.00 30.03 C +ATOM 1526 C GLY A 121 17.683 16.402 19.885 1.00 38.86 C +ATOM 1527 O GLY A 121 16.690 16.299 19.103 1.00 36.99 O +ATOM 1528 H GLY A 121 18.525 16.240 17.414 1.00 28.13 H +ATOM 1529 HA2 GLY A 121 19.472 15.387 19.838 1.00 31.16 H +ATOM 1530 HA3 GLY A 121 19.655 16.972 19.722 1.00 31.19 H +ATOM 1531 N PRO A 122 17.524 16.632 21.216 1.00 40.75 N +ATOM 1532 CA PRO A 122 16.179 16.777 21.807 1.00 57.07 C +ATOM 1533 C PRO A 122 15.255 17.894 21.313 1.00 60.46 C +ATOM 1534 O PRO A 122 15.685 18.994 20.963 1.00 40.61 O +ATOM 1535 CB PRO A 122 16.419 16.990 23.326 1.00 53.37 C +ATOM 1536 CG PRO A 122 17.892 17.407 23.402 1.00 49.15 C +ATOM 1537 CD PRO A 122 18.568 16.715 22.235 1.00 37.69 C +ATOM 1538 HA PRO A 122 15.710 15.913 21.692 1.00 53.46 H +ATOM 1539 HB2 PRO A 122 15.836 17.693 23.684 1.00 53.21 H +ATOM 1540 HB3 PRO A 122 16.264 16.161 23.826 1.00 53.15 H +ATOM 1541 HG2 PRO A 122 17.981 18.379 23.325 1.00 47.12 H +ATOM 1542 HG3 PRO A 122 18.289 17.121 24.250 1.00 47.12 H +ATOM 1543 HD2 PRO A 122 19.324 17.240 21.915 1.00 40.44 H +ATOM 1544 HD3 PRO A 122 18.882 15.828 22.487 1.00 40.68 H +ATOM 1545 N ALA A 123 13.948 17.592 21.423 1.00 61.09 N +ATOM 1546 CA ALA A 123 12.887 18.332 20.760 1.00 77.08 C +ATOM 1547 C ALA A 123 12.684 19.716 21.397 1.00 75.58 C +ATOM 1548 O ALA A 123 12.855 19.803 22.624 1.00 65.76 O +ATOM 1549 CB ALA A 123 11.616 17.508 20.816 1.00 81.42 C +ATOM 1550 H ALA A 123 13.712 16.882 21.949 1.00 64.30 H +ATOM 1551 HA ALA A 123 13.139 18.458 19.821 1.00 73.85 H +ATOM 1552 HB1 ALA A 123 10.894 17.996 20.386 1.00 80.07 H +ATOM 1553 HB2 ALA A 123 11.754 16.664 20.356 1.00 80.04 H +ATOM 1554 HB3 ALA A 123 11.381 17.336 21.744 1.00 79.99 H +TER 1555 ALA A 123 +MODEL 1 +REMARK VINA RESULT: -8.9 0.000 0.000 +REMARK CORE C12=CC=CC=C1CNCCO2 +REMARK SMILES O=C1COc2ccc([C@H]3CCc4ccccc4O3)cc2CN1 +REMARK SMILES IDX 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 19 9 20 10 21 11 22 12 9 14 +REMARK SMILES IDX 10 15 18 16 11 17 17 18 12 19 16 20 13 21 15 22 14 23 +REMARK H PARENT 22 13 +COMPND /tmp/tmp9px97oyj/59026768_s998578_out.pdbqt +AUTHOR GENERATED BY OPEN BABEL 3.1.0 +ATOM 1 O UNL A 1 21.660 16.161 -7.731 1.00 0.00 O +ATOM 2 C UNL A 1 22.721 16.791 -7.707 1.00 0.00 C +ATOM 3 C UNL A 1 22.940 17.952 -6.717 1.00 0.00 C +ATOM 4 O UNL A 1 24.234 18.388 -6.331 1.00 0.00 O +ATOM 5 C UNL A 1 24.876 19.022 -7.359 1.00 0.00 C +ATOM 6 C UNL A 1 25.166 20.378 -7.232 1.00 0.00 C +ATOM 7 C UNL A 1 25.877 21.033 -8.240 1.00 0.00 C +ATOM 8 C UNL A 1 26.312 20.335 -9.377 1.00 0.00 C +ATOM 9 C UNL A 1 26.030 18.959 -9.473 1.00 0.00 C +ATOM 10 C UNL A 1 25.321 18.293 -8.462 1.00 0.00 C +ATOM 11 C UNL A 1 25.074 16.817 -8.516 1.00 0.00 C +ATOM 12 N UNL A 1 23.674 16.495 -8.637 1.00 0.00 N +ATOM 13 H UNL A 1 23.425 15.700 -9.211 1.00 0.00 H +ATOM 14 C UNL A 1 27.130 21.043 -10.453 1.00 0.00 C +ATOM 15 C UNL A 1 28.565 20.486 -10.489 1.00 0.00 C +ATOM 16 O UNL A 1 26.414 20.952 -11.693 1.00 0.00 O +ATOM 17 C UNL A 1 29.175 20.366 -11.880 1.00 0.00 C +ATOM 18 C UNL A 1 27.116 21.469 -12.746 1.00 0.00 C +ATOM 19 C UNL A 1 28.483 21.226 -12.887 1.00 0.00 C +ATOM 20 C UNL A 1 26.410 22.166 -13.721 1.00 0.00 C +ATOM 21 C UNL A 1 29.141 21.685 -14.033 1.00 0.00 C +ATOM 22 C UNL A 1 27.076 22.641 -14.851 1.00 0.00 C +ATOM 23 C UNL A 1 28.441 22.397 -15.009 1.00 0.00 C +CONECT 1 2 2 +CONECT 2 12 1 1 3 +CONECT 3 2 4 +CONECT 4 5 3 +CONECT 5 10 10 6 4 +CONECT 6 7 7 5 +CONECT 7 8 6 6 +CONECT 8 14 9 9 7 +CONECT 9 8 8 10 +CONECT 10 9 11 5 5 +CONECT 11 12 10 +CONECT 12 13 11 2 +CONECT 13 12 +CONECT 14 16 15 8 +CONECT 15 17 14 +CONECT 16 18 14 +CONECT 17 19 15 +CONECT 18 20 20 19 16 +CONECT 19 21 21 18 17 +CONECT 20 22 18 18 +CONECT 21 23 19 19 +CONECT 22 23 23 20 +CONECT 23 22 22 21 +MASTER 0 0 0 0 0 0 0 0 23 0 23 0 +END